Ferri-leakeite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 77 (1992) 1112-1115
	Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the
	Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
	Locality: Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India
	_database_code_amcsd 0001541
	9.822 17.836 5.286 90 104.37 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .1100 .0905 .2154 0.0013 0.0006 0.0081 -.0001 0.0005 -.0001
	O2 .1184 .1685 .7284 0.0016 0.0006 0.0083 .0001 0.0006 0.0004
	O3 .1110 0 .6985 0.0023 0.0005 0.0111 -.0004 0.0005 -.0001
	O4 .3623 .2504 .8027 0.0033 0.0004 0.0096 -.0003 0.0017 0
	O5 .3486 .1281 .0850 0.0014 0.0008 0.0068 .0001 0.0006 0.0007
	O6 .3436 .1193 .5854 0.0016 0.0008 0.0059 0 0.0005 -.0006
	O7 .3338 0 .2983 0.0021 0.0003 0.0149 0 0.0007 0
	Si1 .2780 .0862 .2944 0.0013 0.0003 0.0048 0 0.0004 -.0001
	Si2 .2883 .1712 .8018 0.0011 0.0003 0.0050 -.0001 0.0005 0
	Mg1 0 .0848 .5 .72 0.0017 0.0007 0.0061 0 0.0012 0
	Fe1 0 .0848 .5 .28 0.0017 0.0007 0.0061 0 0.0012 0
	Mg2 0 .1796 0 .28 0.0013 0.0003 0.0056 0 0.0006 0
	Fe2 0 .1796 0 .72 0.0013 0.0003 0.0056 0 0.0006 0
	Li3 0 0 0 .83 0.0023 0.0003 0.0065 0 -.0002 0
	Mg3 0 0 0 .17 0.0023 0.0003 0.0065 0 -.0002 0
	Na4 0 .2763 .5 .98 0.0037 0.0007 0.0160 0 0.0045 0
	Ca4 0 .2763 .5 .02 0.0037 0.0007 0.0160 0 0.0045 0
	NaA 0 .5 0 .85 0.0201 0.0009 0.0771 0 0.0384 0
	Nam .0399 .5 .0930 .038 0.0108 0.0016 0.0337 0 0.0149 0
	Na2 0 .4766 0 .038 4.14
	H .1845 0 .7705
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	Ferro-ferri-fluoro-leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Sample: A(3), ferro-fluor-leakeite
	Locality: Questa caldera, New Mexico
	_database_code_amcsd 0001588
	9.792 17.934 5.313 90 103.87 90 C2/m
	atom x y z occ Biso
	O1 .1107 .0906 .2088 .65
	O2 .1198 .1715 .7368 .64
	OH3 .1130 0 .7071 .15 1.12
	F .1130 0 .7071 .85 1.12
	O4 .3652 .2497 .8013 .81
	O5 .3507 .1284 .0836 .82
	O6 .3417 .1201 .5805 .81
	O7 .3356 0 .2992 .87
	SiT1 .2797 .0858 .2918 .959 .46
	AlT1 .2797 .0858 .2918 .041 .46
	SiT2 .2903 .1707 .8024 .959 .45
	AlT2 .2903 .1707 .8024 .041 .45
	MgM1 0 .0888 .5 .250 .63
	Fe2+M1 0 .0888 .5 .560 .63
	MnM1 0 .0888 .5 .190 .63
	Fe2+M2 0 .1811 0 .020 .53
	Fe3+M2 0 .1811 0 .910 .53
	TiM2 0 .1811 0 .040 .53
	ZnM2 0 .1811 0 .030 .53
	LiM3 0 0 0 .640 .67
	MgM3 0 0 0 .040 .67
	MnM3 0 0 0 .320 .67
	NaM4 0 .2776 .5 1.11
	KA 0 .5 0 .064 4.86
	NaA 0 .5 0 .180 4.86
	KAm .0456 .5 .0973 .083 3.52
	NaAm .0456 .5 .0973 .230 3.52
	KA2 0 .4693 0 .004 3.69
	NaA2 0 .4693 0 .011 3.69
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	Ferro-ferri-fluoro-leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Sample: A(4), ferro-fluor-leakeite
	Locality: Questa caldera, New Mexico
	_database_code_amcsd 0001589
	9.796 17.934 5.312 90 103.89 90 C2/m
	atom x y z occ Biso
	O1 .1107 .0904 .2093 .61
	O2 .1197 .1714 .7363 .61
	OH3 .1123 0 .7067 .20 1.03
	F .1123 0 .7067 .80 1.03
	O4 .3651 .2498 .8012 .78
	O5 .3505 .1284 .0834 .77
	O6 .3420 .1202 .5806 .75
	O7 .3358 0 .2987 .84
	SiT1 .2797 .0858 .2920 .975 .42
	AlT1 .2797 .0858 .2920 .025 .42
	SiT2 .2902 .1707 .8025 .975 .41
	AlT2 .2902 .1707 .8025 .025 .41
	MgM1 0 .0888 .5 .300 .59
	Fe2+M1 0 .0888 .5 .530 .59
	MnM1 0 .0888 .5 .170 .59
	Fe2+M2 0 .1810 0 .030 .48
	Fe3+M2 0 .1810 0 .900 .48
	TiM2 0 .1810 0 .035 .48
	ZnM2 0 .1810 0 .035 .48
	LiM3 0 0 0 .640 .66
	MgM3 0 0 0 .040 .66
	MnM3 0 0 0 .320 .66
	NaM4 0 .2775 .5 1.17
	KA 0 .5 0 .065 4.69
	NaA 0 .5 0 .178 4.69
	KAm .0447 .5 .0963 .082 3.25
	NaAm .0447 .5 .0963 .224 3.25
	KA2 0 .4661 0 .005 2.06
	NaA2 0 .4661 0 .013 2.06
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	Ferro-ferri-fluoro-leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Sample: A(5), ferro-fluor-leakeite
	Locality: Questa caldera, New Mexico
	_database_code_amcsd 0001590
	9.792 17.935 5.314 90 103.85 90 C2/m
	atom x y z occ Biso
	O1 .1108 .0907 .2088 .59
	O2 .1200 .1718 .7373 .62
	OH3 .1130 0 .7075 .20 1.08
	F .1130 0 .7075 .80 1.08
	O4 .3654 .2496 .8011 .78
	O5 .3506 .1284 .0831 .79
	O6 .3416 .1202 .5804 .74
	O7 .3352 0 .2987 .85
	SiT1 .2796 .0859 .2916 .966 .44
	AlT1 .2796 .0859 .2916 .034 .44
	SiT2 .2904 .1708 .8026 .966 .42
	AlT2 .2904 .1708 .8026 .034 .42
	MgM1 0 .0889 .5 .210 .61
	Fe2+M1 0 .0889 .5 .590 .61
	MnM1 0 .0889 .5 .200 .61
	Fe3+M2 0 .1811 0 .930 .50
	TiM2 0 .1811 0 .035 .50
	ZnM2 0 .1811 0 .035 .50
	LiM3 0 0 0 .630 .64
	MgM3 0 0 0 .040 .64
	MnM3 0 0 0 .330 .64
	NaM4 0 .2776 .5 1.13
	KA 0 .5 0 .060 5.58
	NaA 0 .5 0 .165 5.58
	KAm .0449 .5 .0989 .082 3.54
	NaAm .0449 .5 .0989 .224 3.54
	KA2 0 .4734 0 .006 2.17
	NaA2 0 .4734 0 .017 2.17
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	Ferri-leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A1
	Locality: Kajlidongri, Madhya Pradesh, India
	_database_code_amcsd 0001655
	9.748 17.842 5.287 90 104.12 90 C2/m
	atom x y z occ Biso
	Si1 .2811 .0857 .2929 .41
	Si2 .2889 .1710 .7998 .42
	Mg1 0 .0823 .5 .57 .72
	Al1 0 .0823 .5 .025 .72
	Ti1 0 .0823 .5 .205 .72
	Fe1 0 .0823 .5 .13 .72
	Mn1 0 .0823 .5 .07 .72
	Mg2 0 .1796 0 .415 .48
	Al2 0 .1796 0 .045 .48
	Fe2 0 .1796 0 .35 .48
	Mn2 0 .1796 0 .19 .48
	Li3 0 0 0 .67 .69
	Mg3 0 0 0 .33 .69
	Na4 0 .2751 .5 .95 1.17
	Ca4 0 .2751 .5 .05 1.17
	NaA 0 .5 0 .16 6.5
	KA 0 .5 0 .03 6.5
	NaAm .0508 .5 .1091 .16 2.87
	KAm .0508 .5 .1091 .03 2.87
	NaA2 0 .4680 0 .16 4.68
	KA2 0 .4680 0 .03 4.68
	H .1867 0 .7577 .485 2.65
	O1 .1115 .0886 .2159 .63
	O2 .1178 .1668 .7270 .60
	O3 .1104 0 .6965 .41 .76
	Oh3 .1104 0 .6965 .485 .76
	F3 .1104 0 .6965 .105 .76
	O4 .3605 .2508 .8018 .80
	O5 .3500 .1280 .0816 .74
	O6 .3456 .1198 .5823 .73
	O7 .3394 0 .2979 .84
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	Ferri-leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A2
	Locality: Kajlidongri, Madhya Pradesh, India
	_database_code_amcsd 0001656
	9.790 17.848 5.287 90 104.10 90 C2/m
	atom x y z occ Biso
	Si1 .2785 .0862 .2934 .99 .43
	Al1 .2785 .0862 .2934 .01 .43
	Si2 .2889 .1712 .8023 .99 .43
	Al2 .2889 .1712 .8023 .01 .43
	Mg1 0 .0865 .5 .83 .54
	Al1 0 .0865 .5 .04 .54
	Fe1 0 .0865 .5 .10 .54
	Mn1 0 .0865 .5 .03 .54
	Mg2 0 .1796 0 .16 .48
	Al2 0 .1796 0 .05 .48
	Fe2 0 .1796 0 .61 .48
	Mn2 0 .1796 0 .18 .48
	Li3 0 0 0 .74 .79
	Mg3 0 0 0 .26 .79
	Na4 0 .2764 .5 .98 1.14
	Ca4 0 .2764 .5 .02 1.14
	NaA 0 .5 0 .15 3.01
	KA 0 .5 0 .04 3.01
	NaAm .0480 .5 .1028 .15 2.28
	KAm .0480 .5 .1028 .04 2.28
	NaA2 0 .4744 0 .15 4.87
	KA2 0 .4744 0 .04 4.87
	H .1826 0 .7335 .64 2.55
	O1 .1102 .0905 .2146 .65
	O2 .1186 .1694 .7315 .66
	O3 .1115 0 .7002 .11 .96
	Oh3 .1115 0 .7002 .64 .96
	F3 .1115 0 .7002 .24 .96
	O4 .3632 .2504 .8018 .81
	O5 .3497 .1285 .0851 .77
	O6 .3435 .1192 .5845 .73
	O7 .3348 0 .2963 .93
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	Ferri-leakeite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A3
	Note: Site occupancies are set to be the same as ones in sample A2
	Locality: Kajlidongri, Madhya Pradesh, India
	_database_code_amcsd 0001657
	9.822 17.836 5.286 90 104.37 90 C2/m
	atom x y z occ Biso
	Si1 .2780 .0862 .2944 .99 .46
	Al1 .2780 .0862 .2944 .01 .46
	Si2 .2883 .1712 .8018 .99 .45
	Al2 .2883 .1712 .8018 .01 .45
	Mg1 0 .0848 .5 .83 .70
	Al1 0 .0848 .5 .04 .70
	Fe1 0 .0848 .5 .10 .70
	Mn1 0 .0848 .5 .03 .70
	Mg2 0 .1796 0 .16 .50
	Al2 0 .1796 0 .05 .50
	Fe2 0 .1796 0 .61 .50
	Mn2 0 .1796 0 .18 .50
	Li3 0 0 0 .74 .69
	Mg3 0 0 0 .26 .69
	Na4 0 .2763 .5 .98 1.21
	Ca4 0 .2763 .5 .02 1.21
	NaA 0 .5 0 .15 4.51
	KA 0 .5 0 .04 4.51
	NaAm .0399 .5 .0930 .15 2.81
	KAm .0399 .5 .0930 .04 2.81
	NaA2 0 .4766 0 .15 4.14
	KA2 0 .4766 0 .04 4.14
	H .1845 0 .7705 .64 3.11
	O1 .1100 .0905 .2154 .71
	O2 .1184 .1685 .7284 .76
	O3 .1110 0 .6975 .11 .91
	Oh3 .1110 0 .6975 .64 .91
	F3 .1110 0 .6975 .24 .91
	O4 .3623 .2504 .8027 .89
	O5 .3486 .1281 .0850 .74
	O6 .3436 .1193 .5854 .74
	O7 .3338 0 .2983 .94
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	Aragonite
	Dal Negro A, Ungaretti L
	American Mineralogist 56 (1971) 768-772
	Refinement of the crystal structure of aragonite
	Locality: Vertaizon-Alvernia, France
	_database_code_amcsd 0000236
	4.9616 7.9705 5.7394 90 90 90 Pmcn
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca .25 .4151 .2403 .006640 .002837 .004770 0 0 -.000153
	C .25 .7627 .0850 .008507 .003545 .005068 0 0 .000594
	O1 .25 .9231 .0952 .014831 .003861 .009870 0 0 .001077
	O2 .4729 .6801 .0870 .008513 .005523 .010188 .001234 .000688 -.000260
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	Aksaite
	Dal Negro A, Ungaretti L, Sabelli C
	American Mineralogist 56 (1971) 1553-1566
	The crystal structure of aksaite
	_database_code_amcsd 0000260
	12.540 24.327 7.480 90 90 90 Pbca
	atom x y z Biso
	Mg .4316 .1279 .0542 .67
	B1 .6592 .3673 .3902 .82
	B2 .5015 .3358 .1876 .86
	B3 .5303 .4387 .2506 .79
	B4 .6577 .2761 .2450 .85
	B5 .4553 .4053 -.0318 .83
	B6 .7130 .4635 .3434 .82
	O1 .7141 .3181 .3330 .93
	OH2 .5967 .3586 .5529 1.08
	O3 .5767 .3814 .2491 .64
	O4 .7338 .4125 .4020 .95
	O5 .5593 .2842 .1821 .95
	OH6 .4143 .3331 .3133 1.00
	O7 .4669 .3509 .0081 1.04
	O8 .4743 .4465 .0835 .92
	OH9 .4606 .4438 .4074 1.07
	O10 .6178 .4777 .2659 1.07
	OH11 .6977 .2244 .2442 1.78
	OH12 .4273 .4178 -.2081 1.02
	OH13 .7878 .5048 .3526 1.66
	OH14 .2659 .1127 .0541 1.92
	Wat15 .4140 .1996 .2065 .96
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	Elpidite
	Cannillo E, Rossi G, Ungaretti L
	American Mineralogist 58 (1973) 106-109
	The crystal structure of elpidite
	_database_code_amcsd 0000303
	7.14 14.68 14.65 90 90 90 Pbcm
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Zr .4950 .25 .5 .0029 .0002 .0005 0 0 -.0001
	Si1 .7720 .3854 .6462 .40
	Si2 .5086 .0476 .6413 .51
	Si3 .2170 .3928 .6435 .49
	Na1 .4362 .2299 .75 2.07
	Na2 -.0027 .25 .5 2.02
	O1 .9966 .4047 .6392 1.46
	O2 .7156 .3538 .75 1.33
	O3 .7077 .3099 .5772 1.38
	O4 .6781 .4825 .6277 1.53
	O5 .5285 .0713 .75 .93
	O6 .4904 .1405 .5886 1.20
	O7 .3029 .4888 .6119 .51
	O8 .2881 .3770 .75 .79
	O9 .2928 .3097 .5823 .80
	Wat1 .0104 .1130 .5810 2.61
	Wat2 .1233 .1895 .75 3.04
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	Ezcurrite
	Cannillo E, Dal Negro A, Ungaretti L
	American Mineralogist 58 (1973) 110-115
	The crystal structure of ezcurrite
	_database_code_amcsd 0000304
	8.598 9.570 6.576 102.75 107.50 71.52 P-1
	atom x y z Biso
	Na1 .8988 .3700 .0373 1.81
	Na2 .5860 .1519 .5616 2.88
	B1 .3333 .1608 .1463 1.05
	B2 .2566 .2850 -.1777 1.12
	B3 .4580 .3607 .1560 1.28
	B4 -.0485 .3710 -.3761 1.14
	B5 .1590 .2623 -.5812 .95
	H1 .518 -.045 .167 3.00
	H2 .593 .507 .186 3.00
	H3 -.292 .428 -.481 3.00
	H4 .781 -.021 .288 5.00
	H5 .749 .087 .919 5.00
	O1 .1756 .2244 .2169 1.17
	O2 .4110 .0118 .2130 1.35
	O3 .2982 .1510 -.0867 1.02
	O4 .4508 .2564 .2527 1.34
	O5 .5666 .4476 .2676 1.94
	O6 .3627 .3865 -.0474 1.34
	O7 .0778 .3727 -.1868 1.21
	O8 .2846 .2489 -.3991 1.18
	O9 -.2072 .4156 -.3508 2.00
	O10 -.0113 .3259 -.5695 1.47
	O11 .8265 .0547 .4041 4.07
	O12 .8261 .1440 .9732 7.28
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	Teruggite
	Dal Negro A, Kumbasar I, Ungaretti L
	American Mineralogist 58 (1973) 1034-1043
	The crystal structure of teruggite
	_database_code_amcsd 0000390
	15.675 19.920 6.255 90 99.33 90 P2_1/a
	atom x y z Biso
	Mg 0 0 0 1.56
	As .74892 .04890 .49105 .90
	Ca1 .73006 .21207 .21647 1.14
	Ca2 .94886 .45050 .71508 .86
	B1 .2956 .1161 .0164 1.06
	B2 .4502 .2778 .4384 1.16
	B3 .4442 .0798 .1757 .86
	B4 .3641 .1729 .3541 .79
	B5 .5342 .1722 .4224 .77
	B6 .6067 .0981 .1774 .93
	O1 .2938 .1631 .1742 1.30
	O2 .3699 .0810 -.0014 .91
	O3 .3720 .2458 .3859 1.28
	O4 .4475 .1474 .2905 .80
	O5 .5220 .0697 .0849 .95
	O6 .5258 .2450 .4525 1.06
	O7 .6007 .1590 .3014 1.08
	O8 .6497 .0412 .3239 1.19
	O9 .7296 .0296 .7376 1.40
	O10 .8160 -.0062 .4011 1.64
	O11 .7862 .1276 .4755 1.75
	OH12 .2217 .1068 -.1286 1.67
	OH13 .3508 .1371 .5472 1.33
	OH14 .4323 .0254 .3271 .99
	OH15 .4507 .3463 .4772 1.69
	OH16 .5396 .1365 .6299 1.34
	OH17 .6599 .1164 .0177 1.16
	Wat18 .8020 .1999 -.0982 3.32
	Wat19 .6995 .2776 .5224 3.33
	Wat20 .6295 .2756 -.0216 3.84
	Wat21 .5477 .4551 .2934 2.82
	Wat22 .5307 .4116 -.1506 3.35
	Wat23 .3790 .4653 .0328 2.18
	Wat24 .4573 .2332 -.0926 2.33
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	Ussingite
	Rossi G, Tazzoli V, Ungaretti L
	American Mineralogist 59 (1974) 335-340
	The crystal structure of ussingite
	Locality: Lovozero alkali massif, Russia
	_database_code_amcsd 0000399
	7.256 7.686 8.683 90.75 99.75 122.48 P-1
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al .2422 .0457 .8551 .003788 .004469 .002458 .002209 .000854 .000758
	Si1 .2463 .1935 .3626 .003623 .003823 .002521 .001822 .000658 .000437
	Si2 .3203 .4147 .6924 .004717 .004041 .002127 .001943 .000971 .000672
	Si3 .7014 .1041 .8129 .003229 .005076 .002433 .002751 .001687 .001026
	Na1 .1759 .3924 .0555 .014721 .011833 .005361 .008533 .001534 .000218
	Na2 .8214 .2342 .4421 .015378 .010061 .004644 .007916 .002133 .001652
	H .979 .405 .765
	O1 .0021 .1358 .2792 .006931 .007376 .006091 .003748 .001057 -.000105
	O2 .1419 .4749 .6515 .008921 .010164 .006054 .006000 .002304 .002923
	O3 .2767 -.0021 .3473 .009870 .007111 .003092 .005536 .001337 .000749
	O4 .3010 .2970 .8489 .008492 .006090 .003114 .003636 .001210 .000598
	O5 .4442 .0224 .7955 .007278 .009345 .005575 .004941 .001388 .000767
	O6 .4231 .3818 .2768 .007218 .007946 .004085 .002534 .001959 .001688
	O7 .7980 .0344 .9625 .013162 .014394 .003821 .009997 .002274 .002850
	O8 .8580 .3557 .8210 .008932 .006853 .006657 .002768 .003279 .000000
	O9 .2973 .2604 .5485 .015887 .009418 .002871 .007275 .001241 .000647
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	Ameghinite
	Dal Negro A, Pozas J M M, Ungaretti L
	American Mineralogist 60 (1975) 879-883
	The crystal structure of ameghinite
	_database_code_amcsd 0000470
	18.428 9.882 6.326 90 104.4 90 C2/c
	atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Na .1730 .2380 .1032 1.64 .001116 .004941 .012686 .000552 .001618 .000376
	B1 .3412 .1716 .4414 1.07 .000536 .001950 .010988 -.000005 .000404 .000198
	B2 .4028 .3987 .4959 1.14 .000951 .002962 .007124 .000103 .000711 .000736
	B3 .4778 .1994 .4828 1.12 .000787 .003442 .008111 -.000288 .001092 -.000706
	Oh1 .5494 .1575 .4964 1.62 .000743 .002784 .019029 .000227 .001168 .001012
	Oh2 .3011 .1606 .2150 1.29 .000868 .003478 .008704 -.000177 .000537 .000544
	Oh3 .3058 .1016 .5929 1.35 .000900 .003118 .010390 -.000377 .000438 .000255
	Oh4 .3986 .5352 .5164 1.61 .000938 .002670 .019167 .000386 .001814 .003202
	O5 .4701 .3401 .4812 1.48 .000684 .002293 .016263 .000074 .000460 .001292
	O6 .3437 .3196 .4990 1.50 .000715 .002336 .016074 .000090 .000348 -.000606
	O7 .4194 .1177 .4800 1.26 .000728 .002385 .013890 .000212 .001224 .001776
	H1 .561 .059 .505 3.0
	H2 .303 .065 .171 3.0
	H3 .252 .130 .560 3.0
	H4 .447 .581 .517 3.0
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	Semenovite-(Ce)
	Mazzi F, Ungaretti L, Dal Negro A, Petersen O V, Ronsbo J G
	American Mineralogist 64 (1979) 202-210
	The crystal structure of semenovite
	_database_code_amcsd 0000705
	13.879 13.835 9.942 90 90 90 Pmnn
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ce1 .1390 0 0 .80 .0012 .0015 .0028 0 0 -.0003
	Na1 .1390 0 0 .14 .0012 .0015 .0028 0 0 -.0003
	Na2 .1349 0 .5 .56 .0053 .0067 .0087 0 0 .0013
	Ce2 .1349 0 .5 .20 .0053 .0067 .0087 0 0 .0013
	Fe3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001
	Mn3 .5 0 .5 .40 .0024 .0018 .0038 0 0 .0001
	Fe4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012
	Mn4 .5 0 0 .10 .0039 .0013 .0026 0 0 .0012
	Ca5 .1385 .2097 .0128 .52 .0015 .0022 .0023 .0008 .0002 .0001
	Na5 .1385 .2097 .0128 .48 .0015 .0022 .0023 .0008 .0002 .0001
	Na6 .1431 .3060 .5053 .87 .0017 .0038 .0040 .0010 .0004 -.0013
	Ca6 .1431 .3060 .5053 .13 .0017 .0038 .0040 .0010 .0004 -.0013
	Si1 .3373 -.0044 .2532 .0013 .0018 .0040 .0004 -.0003 .0000
	Si2 .2045 .1509 .2789 .80 .0007 .0011 .0021 .0000 -.0002 -.0001
	Be2 .2045 .1509 .2789 .20 .0007 .0011 .0021 .0000 -.0002 -.0001
	Be3 .2043 .1547 .7769 .80 .0015 .0033 .0044 .0001 .0006 .0006
	Si3 .2043 .1547 .7769 .20 .0015 .0033 .0044 .0001 .0006 .0006
	Si4 .5 .1297 .2364 .80 .0014 .0010 .0020 0 0 -.0009
	Be4 .5 .1297 .2364 .20 .0014 .0010 .0020 0 0 -.0009
	Be5 .5 .1388 .7289 .80 .0015 .0030 .0064 0 0 .0041
	Si5 .5 .1388 .7289 .20 .0015 .0030 .0064 0 0 .0041
	Si6 0 .1493 .2350 .0010 .0020 .0042 0 0 .0004
	Si7 0 .1513 .7466 .0020 .0024 .0048 0 0 .0004
	O1 .2490 .2473 .3393 .0027 .0016 .0030 -.0003 -.0009 -.0008
	O2 .2668 .0627 .3473 .0019 .0021 .0043 .0007 .0000 -.0002
	O3 .2703 .0649 .8477 .0017 .0012 .0046 .0006 .0003 .0001
	O4 .4061 .0737 .1713 .0014 .0023 .0040 -.0001 -.0005 .0003
	O5 .4065 .0742 .6567 .0014 .0016 .0051 -.0001 .0004 .0003
	O6 .0940 .1379 .3375 .0009 .0040 .0030 .0001 -.0005 .0001
	O7 .0963 .1395 .8393 .0009 .0038 .0048 .0003 -.0002 .0015
	O8 .2023 .1449 .1172 .0019 .0019 .0021 -.0001 .0002 .0002
	F9 .2066 .1547 .6208 .0020 .0021 .0028 -.0002 .0000 -.0001
	O10 .5 .2397 .1699 .0017 .0018 .0047 0 0 -.0011
	O11 .5 .2450 .6648 .0027 .0020 .0034 0 0 -.0001
	O12 .5 .1328 .3934 .0024 .0031 .0018 0 0 .0003
	OH13 .5 .1361 .8857 .0025 .0030 .0039 0 0 -.0003
	O14 0 .0619 .1234 .0014 .0024 .0044 0 0 -.0009
	OH15 0 .0756 .6209 .0026 .0021 .0085 0 0 -.0018
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	Fluoro-oxy-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(1), magnesio-ferri-fluor-oxy-katophorite
	_database_code_amcsd 0001586
	9.795 17.993 5.280 90 104.53 90 C2/m
	atom x y z occ Biso
	O1 .1125 .0860 .2185 .58
	O2 .1183 .1684 .7257 .70
	O3 .1028 0 .7121 .30 .89
	F .1028 0 .7121 .70 .89
	O4 .3625 .2494 .7950 .93
	O5 .3492 .1334 .0947 .93
	O6 .3460 .1198 .5886 .81
	O7 .3414 0 .2956 .97
	SiT1 .2834 .0845 .2973 .948 .47
	AlT1 .2834 .0845 .2973 .052 .47
	SiT2 .2896 .1708 .8041 .948 .46
	AlT2 .2896 .1708 .8041 .052 .46
	MgM1 0 .0839 .5 .640 .82
	Fe3+M1 0 .0839 .5 .265 .82
	TiM1 0 .0839 .5 .025 .82
	MnM1 0 .0839 .5 .070 .82
	MgM2 0 .1792 0 .595 .61
	Fe3+M2 0 .1792 0 .275 .61
	MnM2 0 .1792 0 .130 .61
	LiM3 0 0 0 .060 .50
	MgM3 0 0 0 .770 .50
	Fe3+M3 0 0 0 .140 .50
	MnM3 0 0 0 .030 .50
	NaM4 0 .2767 .5 .875 1.03
	CaM4 0 .2767 .5 .125 1.03
	KA 0 .5 0 .068 6.98
	NaA 0 .5 0 .164 6.98
	KAm .0469 .5 .1117 .029 3.60
	NaAm .0469 .5 .1117 .069 3.60
	KA2 0 .4833 0 .011 3.96
	NaA2 0 .4833 0 .026 3.96
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	Fluoro-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(2), magnesio-ferri-fluor-katophorite
	_database_code_amcsd 0001587
	9.808 17.993 5.284 90 104.54 90 C2/m
	atom x y z occ Biso
	O1 .1123 .0866 .2183 .72
	O2 .1186 .1686 .7272 .68
	O3 .1034 0 .7103 .23 .89
	OH3 .1034 0 .7103 .09 .89
	F .1034 0 .7103 .68 .89
	O4 .3623 .2494 .7961 .86
	O5 .3490 .1327 .0945 .97
	O6 .3455 .1194 .5897 .80
	O7 .3404 0 .2962 1.05
	SiT1 .2826 .0846 .2976 .95 .48
	AlT1 .2826 .0846 .2976 .05 .48
	SiT2 .2895 .1706 .8045 .95 .48
	AlT2 .2895 .1706 .8045 .05 .48
	MgM1 0 .0846 .5 .730 .72
	Fe3+M1 0 .0846 .5 .200 .72
	TiM1 0 .0846 .5 .025 .72
	MnM1 0 .0846 .5 .045 .72
	MgM2 0 .1795 0 .435 .61
	Fe3+M2 0 .1795 0 .400 .61
	ZnM2 0 .1795 0 .165 .61
	LiM3 0 0 0 .060 .58
	MgM3 0 0 0 .830 .58
	Fe3+M3 0 0 0 .040 .58
	MnM3 0 0 0 .070 .58
	NaM4 0 .2774 .5 .525 .87
	CaM4 0 .2774 .5 .475 .87
	KA 0 .5 0 .069 5.90
	NaA 0 .5 0 .171 5.90
	KAm .0451 .5 .1077 .039 3.84
	NaAm .0451 .5 .1077 .097 3.84
	KA2 0 .4795 0 .011 3.07
	NaA2 0 .4795 0 .027 3.07
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	Fluoro-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(6), magnesio-ferri-fluor-katophorite
	_database_code_amcsd 0001591
	9.835 17.944 5.297 90 103.97 90 C2/m
	atom x y z occ Biso
	O1 .1119 .0871 .2147 .71
	O2 .1199 .1699 .7291 .82
	O3 .1072 0 .7098 .20 .92
	OH3 .1072 0 .7098 .11 .92
	F .1072 0 .7098 .69 .92
	O4 .3634 .2485 .7952 1.02
	O5 .3482 .1302 .0874 .95
	O6 .3430 .1186 .5852 .92
	O7 .3385 0 .2936 1.03
	SiT1 .2805 .0849 .2937 .974 .49
	AlT1 .2805 .0849 .2937 .026 .49
	SiT2 .2891 .1704 .8013 .974 .51
	AlT2 .2891 .1704 .8013 .026 .51
	MgM1 0 .0892 .5 .635 .64
	Fe3+M1 0 .0892 .5 .110 .64
	TiM1 0 .0892 .5 .020 .64
	MnM1 0 .0892 .5 .235 .64
	MgM2 0 .1808 0 .140 .59
	Fe2+M2 0 .1808 0 .425 .59
	Fe3+M2 0 .1808 0 .425 .59
	ZnM2 0 .1808 0 .010 .59
	LiM3 0 0 0 .160 .76
	MgM3 0 0 0 .550 .76
	Fe2+M3 0 0 0 .160 .76
	Fe3+M3 0 0 0 .060 .76
	MnM3 0 0 0 .070 .76
	NaM4 0 .2761 .5 .64 1.33
	CaM4 0 .2761 .5 .36 1.33
	KA 0 .5 0 .067 7.67
	NaA 0 .5 0 .202 7.67
	KAm .0429 .5 .0958 .055 3.41
	NaAm .0429 .5 .0958 .164 3.41
	KA2 0 .4794 0 .017 4.73
	NaA2 0 .4794 0 .050 4.73
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	Fluoro-ferri-magnesiokatophorite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(7), magnesio-ferri-fluor-katophorite
	_database_code_amcsd 0001592
	9.861 18.050 5.288 90 104.22 90 C2/m
	atom x y z occ Biso
	O1 .1120 .0863 .2155 .72
	O2 .1198 .1697 .7277 .76
	OH3 .1061 0 .7112 .20 .92
	F .1061 0 .7112 .80 .92
	O4 .3629 .2485 .7936 1.01
	O5 .3480 .1308 .0887 .98
	O6 .3435 .1181 .5864 .92
	O7 .3397 0 .2922 .96
	SiT1 .2809 .0847 .2945 .963 .47
	AlT1 .2809 .0847 .2945 .037 .47
	SiT2 .2890 .1705 .8014 .963 .49
	AlT2 .2890 .1705 .8014 .037 .49
	MgM1 0 .0892 .5 .715 .59
	Fe3+M1 0 .0892 .5 .035 .59
	TiM1 0 .0892 .5 .020 .59
	MnM1 0 .0892 .5 .230 .59
	MgM2 0 .1804 0 .210 .59
	Fe2+M2 0 .1804 0 .440 .59
	Fe3+M2 0 .1804 0 .290 .59
	MnM2 0 .1804 0 .040 .59
	ZnM2 0 .1804 0 .020 .59
	LiM3 0 0 0 .080 .56
	MgM3 0 0 0 .720 .56
	Fe2+M3 0 0 0 .190 .56
	MnM3 0 0 0 .010 .56
	NaM4 0 .2762 .5 .60 1.20
	CaM4 0 .2762 .5 .36 1.20
	MnM4 0 .2762 .5 .04 1.20
	KA 0 .5 0 .056 7.84
	NaA 0 .5 0 .222 7.84
	KAm .0396 .5 .0948 .044 3.63
	NaAm .0396 .5 .0948 .177 3.63
	KA2 0 .4802 0 .011 3.97
	NaA2 0 .4802 0 .044 3.97
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(8)
	_database_code_amcsd 0001593
	9.816 18.004 5.325 90 103.72 90 C2/m
	atom x y z occ Biso
	O1 .1113 .0905 .2073 .67
	O2 .1201 .1720 .7365 .70
	O3 .1116 0 .7081 .40 1.00
	F .1116 0 .7081 .60 1.00
	O4 .3653 .2490 .8000 .91
	O5 .3498 .1282 .0811 .89
	O6 .3407 .1203 .5783 .88
	O7 .3340 0 .2979 .94
	SiT1 .2801 .0857 .2906 .985 .48
	AlT1 .2801 .0857 .2906 .015 .48
	SiT2 .2903 .1704 .8012 .985 .47
	AlT2 .2903 .1704 .8012 .015 .47
	MgM1 0 .0906 .5 .100 .61
	Fe2+M1 0 .0906 .5 .680 .61
	MnM1 0 .0906 .5 .220 .61
	Fe2+M2 0 .1826 0 .130 .55
	Fe3+M2 0 .1826 0 .770 .55
	TiM2 0 .1826 0 .050 .55
	ZnM2 0 .1826 0 .050 .55
	LiM3 0 0 0 .360 .62
	Fe2+M3 0 0 0 .410 .62
	MnM3 0 0 0 .230 .62
	NaM4 0 .2776 .5 1.24
	KA 0 .5 0 .095 6.30
	NaA 0 .5 0 .182 6.30
	KAm .0480 .5 .1055 .075 2.96
	NaAm .0480 .5 .1055 .144 2.96
	H .1965 0 .7329 .40 4.79
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(9)
	_database_code_amcsd 0001594
	9.815 18.016 5.329 90 103.71 90 C2/m
	atom x y z occ Biso
	O1 .1111 .0909 .2071 .67
	O2 .1202 .1721 .7376 .70
	O3 .1119 0 .7082 .30 1.12
	F .1119 0 .7082 .70 1.12
	O4 .3656 .2490 .8001 .86
	O5 .3496 .1283 .0814 .85
	O6 .3404 .1203 .5781 .86
	O7 .3332 0 .2985 .94
	SiT1 .2801 .0858 .2908 .985 .47
	AlT1 .2801 .0858 .2908 .015 .47
	SiT2 .2903 .1704 .8018 .985 .46
	AlT2 .2903 .1704 .8018 .015 .46
	MgM1 0 .0906 .5 .090 .63
	Fe2+M1 0 .0906 .5 .640 .63
	MnM1 0 .0906 .5 .270 .63
	Fe2+M2 0 .1827 0 .100 .56
	Fe3+M2 0 .1827 0 .810 .56
	TiM2 0 .1827 0 .040 .56
	ZnM2 0 .1827 0 .050 .56
	LiM3 0 0 0 .330 .63
	Fe2+M3 0 0 0 .420 .63
	MnM3 0 0 0 .250 .63
	NaM4 0 .2780 .5 1.20
	KA 0 .5 0 .113 8.03
	NaA 0 .5 0 .178 8.03
	KAm .0443 .5 .1041 .072 3.22
	NaAm .0443 .5 .1041 .113 3.22
	H .2020 0 .7780 .30 1.33
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(10)
	_database_code_amcsd 0001595
	9.858 18.046 5.316 90 103.69 90 C2/m
	atom x y z occ Biso
	O1 .1127 .0881 .2102 .75
	O2 .1206 .1707 .7320 .81
	OH3 .1097 0 .7088 .15 1.11
	F .1097 0 .7088 .85 1.11
	O4 .3640 .2484 .7965 1.11
	O5 .3491 .1278 .0798 .94
	O6 .3421 .1188 .5782 .96
	O7 .3376 0 .2937 .98
	SiT1 .2806 .0851 .2902 .49
	SiT2 .2898 .1700 .7988 .48
	MgM1 0 .0906 .5 .260 .59
	Fe2+M1 0 .0906 .5 .450 .59
	MnM1 0 .0906 .5 .290 .59
	Fe2+M2 0 .1823 0 .470 .57
	Fe3+M2 0 .1823 0 .470 .57
	TiM2 0 .1823 0 .060 .57
	LiM3 0 0 0 .250 .62
	MgM3 0 0 0 .250 .62
	Fe2+M3 0 0 0 .280 .62
	MnM3 0 0 0 .220 .62
	NaM4 0 .2761 .5 .991 1.29
	CaM4 0 .2761 .5 .004 1.29
	MnM4 0 .2761 .5 .005 1.29
	KA 0 .5 0 .043 4.44
	NaA 0 .5 0 .197 4.44
	KAm .0445 .5 .0965 .064 3.53
	NaAm .0445 .5 .0965 .290 3.53
	KA2 0 .4675 0 .004 4.78
	NaA2 0 .4675 0 .020 4.78
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	Fluor-arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(11)
	_database_code_amcsd 0001596
	9.859 18.049 5.316 90 103.69 90 C2/m
	atom x y z occ Biso
	O1 .1126 .0884 .2097 .71
	O2 .1207 .1709 .7324 .76
	OH3 .1099 0 .7083 .15 1.07
	F .1099 0 .7083 .85 1.07
	O4 .3643 .2484 .7970 1.05
	O5 .3491 .1278 .0795 .88
	O6 .3419 .1189 .5780 .90
	O7 .3375 0 .2940 1.00
	SiT1 .2805 .0851 .2901 .995 .46
	AlT1 .2805 .0851 .2901 .005 .46
	SiT2 .2898 .1700 .7989 .995 .46
	AlT2 .2898 .1700 .7989 .005 .46
	MgM1 0 .0908 .5 .210 .58
	Fe2+M1 0 .0908 .5 .500 .58
	MnM1 0 .0908 .5 .290 .58
	Fe2+M2 0 .1824 0 .500 .55
	Fe3+M2 0 .1824 0 .440 .55
	TiM2 0 .1824 0 .060 .55
	LiM3 0 0 0 .250 .63
	MgM3 0 0 0 .200 .63
	Fe2+M3 0 0 0 .330 .63
	MnM3 0 0 0 .220 .63
	NaM4 0 .2761 .5 .915 1.35
	CaM4 0 .2761 .5 .03 1.35
	MnM4 0 .2761 .5 .055 1.35
	KA 0 .5 0 .039 4.39
	NaA 0 .5 0 .205 4.39
	KAm .0440 .5 .0981 .056 3.34
	NaAm .0440 .5 .0981 .294 3.34
	KA2 0 .4694 0 .004 2.49
	NaA2 0 .4694 0 .020 2.49
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	Arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Locality: Questa caldera, New Mexico
	Sample: A(12)
	_database_code_amcsd 0001597
	9.840 18.036 5.365 90 104.05 90 C2/m
	atom x y z occ Biso
	O1 .1111 .0903 .2079 .72
	O2 .1202 .1720 .7349 .71
	O3 .1112 0 .7076 .60 1.00
	F .1112 0 .7076 .40 1.00
	O4 .3649 .2488 .7986 .94
	O5 .3488 .1283 .0798 .93
	O6 .3405 .1200 .5781 .91
	O7 .3341 0 .2970 1.00
	SiT1 .2801 .0857 .2902 .978 .46
	AlT1 .2801 .0857 .2902 .022 .46
	SiT2 .2899 .1705 .8002 .978 .49
	AlT2 .2899 .1705 .8002 .022 .49
	MgM1 0 .0908 .5 .110 .60
	Fe2+M1 0 .0908 .5 .720 .60
	MnM1 0 .0908 .5 .170 .60
	Fe2+M2 0 .1829 0 .290 .57
	Fe3+M2 0 .1829 0 .650 .57
	TiM2 0 .1829 0 .040 .57
	ZnM2 0 .1829 0 .020 .57
	LiM3 0 0 0 .170 .59
	MgM3 0 0 0 .090 .59
	Fe2+M3 0 0 0 .500 .59
	MnM3 0 0 0 .240 .59
	NaM4 0 .2770 .5 .935 1.42
	CaM4 0 .2770 .5 .04 1.42
	FeM4 0 .2770 .5 .025 1.42
	KA 0 .5 0 .083 9.90
	NaA 0 .5 0 .203 9.90
	KAm .0476 .5 .1147 .070 2.48
	NaAm .0476 .5 .1147 .171 2.48
	H .1983 0 .7472 .60 1.61
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	Arfvedsonite
	Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K
	American Mineralogist 78 (1993) 733-745
	Li: an important component in igneous alkali amphiboles
	Sample: A(13)
	_database_code_amcsd 0001598
	9.986 18.042 5.314 90 103.92 90 C2/m
	atom x y z occ Biso
	O1 .1101 .0913 .2077 .78
	O2 .1202 .1726 .7332 .84
	O3 .1082 0 .7081 .85 .99
	F .1082 0 .7081 .15 .99
	O4 .3640 .2475 .7992 1.02
	O5 .3449 .1268 .0804 .86
	O6 .3376 .1183 .5814 .92
	O7 .3276 0 .2972 1.03
	SiT1 .2750 .0860 .2909 .991 .55
	AlT1 .2750 .0860 .2909 .009 .55
	SiT2 .2867 .1708 .7998 .991 .55
	AlT2 .2867 .1708 .7998 .009 .55
	MgM1 0 .0909 .5 .020 .73
	Fe2+M1 0 .0909 .5 .980 .73
	Fe2+M2 0 .1839 0 .340 .59
	Fe3+M2 0 .1839 0 .600 .59
	TiM2 0 .1839 0 .030 .59
	ZnM2 0 .1839 0 .010 .59
	AlM2 0 .1839 0 .020 .59
	LiM3 0 0 0 .220 .68
	Fe2+M3 0 0 0 .640 .68
	MnM3 0 0 0 .140 .68
	NaM4 0 .2778 .5 .975 1.36
	CaM4 0 .2778 .5 .025 1.36
	KA 0 .5 0 .377 3.19
	NaA 0 .5 0 .203 3.19
	KAm .0386 .5 .0937 .059 3.24
	NaAm .0386 .5 .0937 .032 3.24
	KA2 0 .4700 0 .013 3.00
	NaA2 0 .4700 0 .007 3.00
	H .1870 0 .7480 .85 .82
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	Ferropargasite
	Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
	American Mineralogist 78 (1993) 746-752
	The mechanism of Cl incorporation in amphibole
	Sample: Cl(0)
	Locality: Nuptse Glacier moraine, Everest Massif, Nepal
	_database_code_amcsd 0001599
	9.895 18.119 5.332 90 105.17 90 C2/m
	atom x y z occ Biso
	NaA 0 .5 0 .10 2.20
	KA 0 .5 0 .13 2.20
	NaAm .0336 .5 .0734 .05 1.74
	KAm .0336 .5 .0734 .06 1.74
	NaA2 0 .4714 0 .05 4.05
	KA2 0 .4714 0 .06 4.05
	Ca4 0 .2808 .5 .97 .75
	Na4 0 .2808 .5 .03 .75
	Mg1 0 .0897 .5 .46 .58
	Fe1 0 .0897 .5 .54 .58
	Mg2 0 .1780 0 .27 .50
	Fe2 0 .1780 0 .51 .50
	Al2 0 .1780 0 .19 .50
	Ti2 0 .1780 0 .03 .50
	Mg3 0 0 0 .34 .53
	Fe3 0 0 0 .66 .53
	Si1 .2791 .0860 .3026 .52 .45
	Al1 .2791 .0860 .3026 .48 .45
	Si2 .2911 .1732 .8140 .46
	O1 .1051 .0911 .2141 .79
	O2 .1199 .1756 .7358 .70
	F3 .1097 0 .7120 .13 .84
	Oh3 .1097 0 .7120 .87 .84
	O4 .3686 .2499 .7924 .82
	O5 .3490 .1392 .1087 .87
	O6 .3426 .1195 .6046 .91
	O7 .3336 0 .2887 1.21
	H .1579 0 .7603 .87 1.53
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	Potassic-chlorohastingsite
	Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
	American Mineralogist 78 (1993) 746-752
	The mechanism of Cl incorporation in amphibole
	Sample: Cl(1)
	Locality: Sesia-Lanzo marble, Western Alps, Italy
	_database_code_amcsd 0001600
	9.884 18.143 5.332 90 104.86 90 C2/m
	atom x y z occ Biso
	NaA 0 .5 0 .15 4.58
	KA 0 .5 0 .12 4.58
	NaAm .0412 .5 .0945 .08 4.66
	KAm .0412 .5 .0945 .06 4.66
	NaA2 0 .4614 0 .08 3.00
	KA2 0 .4614 0 .06 3.00
	Mg1 0 .0921 .5 .35 .69
	Fe1 0 .0921 .5 .65 .69
	Mg2 0 .1787 0 .38 .60
	Fe2 0 .1787 0 .44 .60
	Al2 0 .1787 0 .16 .60
	Ti2 0 .1787 0 .02 .60
	Mg3 0 0 0 .26 .73
	Fe3 0 0 0 .74 .73
	Ca4 0 .2796 .5 .87 .93
	Na4 0 .2796 .5 .10 .93
	Mg4 0 .2796 .5 .02 .93
	Fe4 0 .2796 .5 .01 .93
	Si1 .2789 .0854 .2996 .61 .52
	Al1 .2789 .0854 .2996 .39 .52
	Si2 .2909 .1729 .8100 .53
	O1 .1062 .0903 .2139 .89
	O2 .1210 .1754 .7343 .84
	Cl3 .1061 0 .7076 .28 1.03
	F3 .1061 0 .7076 .13 1.03
	OH3 .1061 0 .7076 .58 1.03
	O3' .1596 0 .7332 1.64
	O4 .3679 .2495 .7944 .90
	O5 .3484 .1363 .1007 .96
	O6 .3426 .1201 .5978 1.02
	O7 .3359 0 .2911 1.22
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	Potassic-chlorohastingsite
	Oberti R, Ungaretti L, Cannillo E, Hawthorne F C
	American Mineralogist 78 (1993) 746-752
	The mechanism of Cl incorporation in amphibole
	Sample: Cl(2)
	Locality: Sesia-Lanzo marble, Western Alps, Italy
	_database_code_amcsd 0001601
	9.922 18.219 5.360 90 104.81 90 C2/m
	atom x y z occ Biso
	NaA 0 .5 0 .12 2.75
	KA 0 .5 0 .18 2.75
	NaAm .0344 .5 .0707 .06 3.38
	KAm .0344 .5 .0707 .09 3.38
	NaA2 0 .4645 0 .06 4.72
	KA2 0 .4645 0 .09 4.72
	Mg1 0 .0944 .5 .18 .73
	Fe1 0 .0944 .5 .82 .73
	Mg2 0 .1792 0 .31 .59
	Fe2 0 .1792 0 .51 .59
	Al2 0 .1792 0 .17 .59
	Ti2 0 .1792 0 .01 .59
	Mg3 0 0 0 .08 .71
	Fe3 0 0 0 .92 .71
	Ca4 0 .2806 .5 .93 .85
	Na4 0 .2806 .5 .07 .85
	Si1 .2779 .0861 .3006 .54 .49
	Al1 .2779 .0861 .3006 .46 .49
	Si2 .2911 .1735 .8113 .54
	O1 .1039 .0915 .2131 .86
	O2 .1215 .1777 .7365 .80
	Cl3 .1031 0 .7021 .49 .93
	F3 .1031 0 .7021 .07 .93
	OH3 .1031 0 .7021 .44 .93
	O3' .1611 0 .7337 1.22
	O4 .3690 .2499 .7947 .92
	O5 .3474 .1363 .0985 .89
	O6 .3423 .1220 .5977 1.01
	O7 .3338 0 .2977 1.33
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	Preiswerkite
	Oberti R, Ungaretti L, Tlili A, Smith D C, Robert J-L
	American Mineralogist 78 (1993) 1290-1298
	The crystal structure of preiswerkite
	Sample: KP9
	_database_code_amcsd 0001620
	5.225 9.050 9.791 90 100.27 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	SiT .5709 .1666 .2126 .5 .0034 .0016 .0014 .0000 .0004 .0000
	AlT .5709 .1666 .2126 .5 .0034 .0016 .0014 .0000 .0004 .0000
	Mg1 0 .5 .5 .85 .0032 .0022 .0025 0 .0006 0
	Al1 0 .5 .5 .15 .0032 .0022 .0025 0 .0006 0
	Mg2 0 .8291 .5 .5 .0061 .0016 .0017 0 .0002 0
	Al2 0 .8291 .5 .5 .0061 .0016 .0017 0 .0002 0
	Na 0 0 0 .85 .0107 .0042 .0032 0 .0014 0
	O1 .8546 .1971 .1593 .0068 .0009 .0026 .0012 .0013 -.0003
	O2 .4487 0 .1598 .0029 .0010 .0032 0 .0021 0
	O3 .6285 .1685 .3918 .0111 .0024 .0017 .0003 -.0005 .0008
	Oh4 .1335 0 .3970 .0122 .0070 .0023 0 .0012 0
	H .0749 0 .3042 1.00
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	Preiswerkite
	Oberti R, Ungaretti L, Tlili A, Smith D C, Robert J-L
	American Mineralogist 78 (1993) 1290-1298
	The crystal structure of preiswerkite
	Sample: KP17
	_database_code_amcsd 0001621
	5.228 9.049 9.819 90 100.41 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	SiT .5740 .1672 .2139 .5 .0052 .0017 .0005 -.0002 .0003 -.0001
	AlT .5740 .1672 .2139 .5 .0052 .0017 .0005 -.0002 .0003 -.0001
	Mg1 0 .5 .5 .85 .0040 .0011 .0007 0 .0004 0
	Al1 0 .5 .5 .15 .0040 .0011 .0007 0 .0004 0
	Mg2 0 .8302 .5 .5 .0049 .0016 .0006 0 .0004 0
	Al2 0 .8302 .5 .5 .0049 .0016 .0006 0 .0004 0
	Na 0 0 0 .85 .0190 .0060 .0010 0 .0007 0
	O1 .8559 .1989 .1584 .0094 .0036 .0008 .0002 .0011 -.0001
	O2 .4530 0 .1651 .0105 .0024 .0007 0 .0004 0
	O3 .6348 .1703 .3905 .0094 .0024 .0007 -.0003 -.0001 .0003
	Oh4 .1252 0 .3989 .0071 .0073 .0004 0 -.0001 0
	H .0831 0 .2950 1.00
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	Ferri-eckermannite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A4
	Note: Site occupancies are set to be the same as ones in sample A5
	_database_code_amcsd 0001658
	9.771 17.887 5.289 90 103.82 90 C2/m
	atom x y z occ Biso
	Si1 .2805 .0857 .2930 .99 .39
	Al1 .2805 .0857 .2930 .01 .39
	Si2 .2885 .1714 .8017 .99 .40
	Al2 .2885 .1714 .8017 .01 .40
	Mg1 0 .0882 .5 .93 .52
	All 0 .0882 .5 .04 .52
	Fe1 0 .0882 .5 .027 .52
	Mn1 0 .0882 .5 .003 .52
	Mg2 0 .1809 0 .36 .47
	Ti2 0 .1809 0 .02 .47
	Fe2 0 .1809 0 .56 .47
	Mn2 0 .1809 0 .06 .47
	Li3 0 0 0 .24 .54
	Mg3 0 0 0 .76 .54
	Na4 0 .2765 .5 .95 1.09
	Ca4 0 .2765 .5 .05 1.09
	NaA 0 .5 0 .11 5.08
	KA 0 .5 0 .04 5.08
	NaAm .0478 .5 .1035 .11 2.93
	KAm .0478 .5 .1035 .04 2.93
	NaA2 0 .4678 0 .11 4.52
	KA2 0 .4678 0 .04 4.52
	H .1891 0 .7547 4.13
	O1 .1112 .0881 .2137 .54
	O2 .1182 .1695 .7326 .57
	Oh3 .1089 0 .7083 .79 .76
	F3 .1089 0 .7083 .21 .76
	O4 .3629 .2504 .7997 .74
	O5 .3493 .1295 .0848 .75
	O6 .3425 .1195 .5833 .71
	O7 .3370 0 .2957 .83
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	Ferri-eckermannite
	Hawthorne F C, Ungaretti L, Oberti R, Cannillo E
	American Mineralogist 79 (1994) 443-451
	The mechanism of Li incorporation in amphiboles
	Sample: A5
	_database_code_amcsd 0001659
	9.779 17.888 5.287 90 103.85 90 C2/m
	atom x y z occ Biso
	Si1 .2802 .0857 .2932 .99 .40
	Al1 .2802 .0857 .2932 .01 .40
	Si2 .2884 .1713 .8016 .99 .42
	Al2 .2884 .1713 .8016 .01 .42
	Mg1 0 .0877 .5 .93 .56
	Al1 0 .0877 .5 .04 .56
	Fe1 0 .0877 .5 .027 .56
	Mn1 0 .0877 .5 .003 .56
	Mg2 0 .1807 0 .36 .47
	Ti2 0 .1807 0 .02 .47
	Fe2 0 .1807 0 .56 .47
	Mn2 0 .1807 0 .06 .47
	Li3 0 0 0 .24 .55
	Mg3 0 0 0 .76 .55
	Na4 0 .2764 .5 .95 1.07
	Ca4 0 .2764 .5 .05 1.07
	NaA 0 .5 0 .11 4.36
	KA 0 .5 0 .04 4.36
	NaAm .0479 .5 .1014 .11 2.81
	KAm .0479 .5 .1014 .04 2.81
	NaA2 0 .4654 0 .11 3.85
	KA2 0 .4654 0 .04 3.85
	H .1739 0 .7437 1.58
	O1 .1111 .0882 .2142 .55
	O2 .1182 .1693 .7318 .60
	Oh3 .1091 0 .7075 .79 .77
	F3 .1091 0 .7075 .21 .77
	O4 .3627 .2503 .7996 .77
	O5 .3492 .1294 .0849 .74
	O6 .3426 .1193 .5836 .72
	O7 .3369 0 .2956 .85
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	Pargasite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: BMS
	_database_code_amcsd 0001826
	9.889 17.978 5.298 90 105.41 90 C2/m
	atom x y z occ Biso
	O1 .1064 .0872 .2179 .74
	O2 .1193 .1726 .7323 .70
	Oh3 .1056 0 .7143 .23 .79
	F3 .1056 0 .7143 .77 .79
	O4 .3660 .2508 .7916 .90
	O5 .3503 .1394 .1121 1.0
	O6 .3453 .1175 .6110 1.0
	O7 .3411 0 .2871 1.24
	Si1 .2798 .0855 .3051 .53 .49
	Al1 .2798 .0855 .3051 .47 .49
	Si2 .2903 .1733 .8141 .52
	Mg1 0 .0892 .5 .53
	Mg2 0 .1756 0 .71 .52
	Al2 0 .1756 0 .18 .52
	Ti2 0 .1756 0 .02 .52
	Fe2 0 .1756 0 .09 .52
	Mg3 0 0 0 .90 .56
	Fe3 0 0 0 .02 .56
	Al3 0 0 0 .08 .56
	Ca4 0 .2796 .5 .74
	NaA 0 .5 0 .15 .91
	KA 0 .5 0 .13 .91
	CaA 0 .5 0 .05 .91
	NaAm .0321 .5 .0681 .15 2.99
	KAm .0321 .5 .0681 .13 2.99
	CaAm .0321 .5 .0681 .05 2.99
	NaA2 0 .4729 0 .15 2.77
	KAm 0 .4729 0 .13 2.77
	CaA2 0 .4729 0 .05 2.77
	H .1688 0 .6402 7.9
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	Fluoro-cannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C1
	_database_code_amcsd 0001823
	9.816 17.899 5.297 90 105.35 90 C2/m
	atom x y z occ Biso
	O1 .1057 .0875 .2156 .81
	O2 .1197 .1730 .7367 .70
	OH3 .1076 0 .7149 .27 .98
	F3 .1076 0 .7149 .73 .98
	O4 .3674 .2517 .7895 .92
	O5 .3532 .1413 .1149 1.01
	O6 .3457 .1167 .6142 1.08
	O7 .3451 0 .2755 1.21
	Si1 .2819 .0855 .3044 .57 .50
	Al1 .2819 .0855 .3044 .43 .50
	Si2 .2919 .1737 .8156 .50
	Mg1 0 .0894 .5 .94 .58
	Fe1 0 .0894 .5 .06 .58
	Mg2 0 .1753 0 .49 .56
	Al2 0 .1753 0 .39 .56
	Ti2 0 .1753 0 .01 .56
	Fe2 0 .1753 0 .11 .56
	Mg3 0 0 0 .93 .58
	Fe3 0 0 0 .07 .58
	Ca4 0 .2795 .5 .97 .71
	Mn4 0 .2795 .5 .02 .71
	Fe4 0 .2795 .5 .01 .71
	Ca4' 0 .2657 .5 .97 2.66
	Mn4' 0 .2657 .5 .02 2.66
	Fe4' 0 .2657 .5 .01 2.66
	NaA 0 .5 0 .14 4.90
	KA 0 .5 0 .01 4.90
	CaA 0 .5 0 .17 4.90
	NaAm .0515 .5 .1089 .14 3.76
	KAm .0515 .5 .1089 .01 3.76
	CaAm .0515 .5 .1089 .17 3.76
	NaA2 0 .4675 0 .14 1.98
	KA2 0 .4675 0 .01 1.98
	CaAm 0 .4675 0 .17 1.98
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	Fluoro-cannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C2
	_database_code_amcsd 0001824
	9.826 17.906 5.301 90 105.41 90 C2/m
	atom x y z occ Biso
	O1 .1053 .0878 .2153 .78
	O2 .1194 .1732 .7371 .67
	OH3 .1072 0 .7149 .23 .95
	F3 .1072 0 .7149 .77 .95
	O4 .3675 .2518 .7899 .89
	O5 .3531 .1415 .1153 .94
	O6 .3457 .1167 .6156 1.04
	O7 .3448 0 .2766 1.23
	Si1 .2815 .0857 .3049 .41 .48
	Al1 .2815 .0857 .3049 .59 .48
	Si2 .2918 .1738 .8163 .46
	Mg1 0 .0895 .5 .93 .56
	Fe1 0 .0895 .5 .07 .56
	Mg2 0 .1753 0 .47 .51
	Al2 0 .1753 0 .41 .51
	Ti2 0 .1753 0 .01 .51
	Fe2 0 .1753 0 .11 .51
	Mg3 0 0 0 .92 .55
	Fe3 0 0 0 .08 .55
	Ca4 0 .2797 .5 .96 .69
	Mn4 0 .2797 .5 .02 .69
	Fe4 0 .2797 .5 .02 .69
	Ca4' 0 .2655 .5 .93 1.14
	Mn4' 0 .2655 .5 .02 1.14
	Fe4' 0 .2655 .5 .02 1.14
	NaA 0 .5 0 .11 5.39
	KA 0 .5 0 .04 5.39
	CaA 0 .5 0 .16 5.39
	NaAm .0576 .5 .1212 .11 1.40
	KAm .0576 .5 .1212 .04 1.40
	CaAm .0576 .5 .1212 .16 1.40
	NaA2 0 .4680 0 .11 2.72
	KA2 0 .4680 0 .04 2.72
	CaA2 0 .4680 0 .16 2.72
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	Fluoro-cannilloite
	Hawthorne F C, Oberti R, Ungaretti L, Grice J D
	American Mineralogist 81 (1996) 995-1002
	A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from
	Pargas, Finland
	Sample: C3
	_database_code_amcsd 0001825
	9.836 17.921 5.306 90 105.40 90 C2/m
	atom x y z occ Biso
	O1 .1053 .0880 .2154 .81
	O2 .1194 .1733 .7373 .70
	OH3 .1075 0 .7152 .33 .93
	F3 .1075 0 .7152 .67 .93
	O4 .3675 .2519 .7896 .89
	O5 .3531 .1414 .1153 .93
	O6 .3454 .1168 .6156 1.04
	O7 .3444 0 .2773 1.26
	Si1 .2814 .0857 .3050 .42 .48
	Al1 .2814 .0857 .3050 .58 .48
	Si2 .2919 .1738 .8165 .46
	Mg1 0 .0896 .5 .92 .55
	Fe1 0 .0896 .5 .08 .55
	Mg2 0 .1754 0 .45 .51
	Al2 0 .1754 0 .42 .51
	Ti2 0 .1754 0 .01 .51
	Fe2 0 .1754 0 .12 .51
	Mg3 0 0 0 .92 .55
	Fe3 0 0 0 .08 .55
	Ca4 0 .2800 .5 .97 .61
	Mn4 0 .2800 .5 .03 .61
	Ca4' 0 .2692 .5 .97 1.16
	Mn4' 0 .2692 .5 .03 1.16
	NaA 0 .5 0 .12 6.29
	KA 0 .5 0 .05 6.29
	CaA 0 .5 0 .16 6.29
	NaAm .0521 .5 .1107 .12 2.97
	KAm .0521 .5 .1107 .05 2.97
	CaAm .0521 .5 .1107 .16 2.97
	NaA2 0 .4675 0 .12 1.71
	KA2 0 .4675 0 .05 1.71
	CaA2 0 .4675 0 .16 1.71
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	MnSi2O5
	Arlt T, Armbruster T, Ulmer P, Peters T
	American Mineralogist 83 (1998) 657-660
	MnSi2O5 with the titanite structure: A new high-pressure phase in
	the MnO-SiO2 binary
	_database_code_amcsd 0002012
	6.332 8.161 6.583 90 114.459 90 C2/c
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn 0 .32050 .25 .0111 .0058 .0107 0 .0040 0
	Si(M) 0 0 0 .0062 .0054 .0058 .0003 .0028 -.0001
	Si(T) 0 .3234 .75 .0058 .0049 .0058 0 .0024 0
	O1 0 .0649 .25 .007 .007 .004 0 .001 0
	O2 -.1979 .5518 .0913 .0074 .0095 .0103 -.0013 .0035 -.0031
	O3 .0919 .2076 .6018 .010 .0053 .009 -.0010 .0057 -.0009
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	Pyrope
	Merli M, Ungaretti L, Oberti R
	American Mineralogist 85 (2000) 532-542
	Leverage analysis and structure refinement of minerals
	Sample: from Dora Maira 3
	_database_code_amcsd 0002417
	11.4573 11.4573 11.4573 90 90 90 Ia-3d
	atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg .125 0 .25 .00490 .01063 .01063 0 0 .00281
	Al 0 0 0 .00377 .00377 .00377 .00001 .00001 .00001
	Si .375 0 .25 .00304 .00354 .00354 0 0 0
	O .0330 .0503 .6533 .00551 .00674 .00443 .00078 -.00118 -.00017
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	Tremolite
	Merli M, Ungaretti L, Oberti R
	American Mineralogist 85 (2000) 532-542
	Leverage analysis and structure refinement of minerals
	Sample: from Val Tremola 9527
	_database_code_amcsd 0002418
	9.8359 18.0450 5.2752 90 104.750 90 C2/m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	SiT1 .2806 .0839 .2972 .00421 .00403 .00460 -.00037 .00105 -.00017
	SiT2 .2884 .1711 -.1953 .00423 .00464 .00443 -.00078 .00124 -.00018
	MgM1 0 .0878 .5 .00656 .00535 .00577 0 .00191 0
	MgM2 0 .1765 0 .00608 .00557 .00628 0 .00190 0
	MgM3 0 0 0 .00656 .00491 .00576 0 .00125 0
	CaM4 0 .2780 .5 .00970 .00605 .01011 0 .00610 0
	H .196 0 .764 .00015
	O1 .1119 .0857 .2180 .00447 .00607 .00649 -.00030 .00117 -.00019
	O2 .1187 .1709 .7244 .00459 .00722 .00646 -.00037 .00140 -.00045
	O3 .1085 0 .7155 .00834 .00656 .00733 0 .00218 0
	O4 .1351 .2519 .2069 .00872 .00579 .00860 -.00276 .00313 -.00083
	O5 .3466 .1344 .1005 .00664 .00921 .00646 -.00065 .00165 .00271
	O6 .3440 .1188 .5891 .00680 .00878 .00592 .00016 .00139 -.00256
	O7 .3377 0 .2928 .00787 .00407 .01318 0 .00294 0
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	Peprossiite-(Ce)
	Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
	American Mineralogist 85 (2000) 586-593
	The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate
	with square-pyramidal coordination for Al
	Sample: Pep1
	_database_code_amcsd 0002424
	4.612 4.612 9.374 90 90 120 P-62m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	PrM2 0 0 0 .818 .0122 .0122 .0083 .0061 0 0
	CaM2 0 0 0 .102 .0122 .0122 .0083 .0061 0 0
	AlM1 .3889 0 .5 2/3 .0046 .0048 .0060 .0024 0 0
	BT 1/3 2/3 .2202 .967 .0078 .0078 .0059 .0039 0 0
	SiT 1/3 2/3 .2202 .033 .0078 .0078 .0059 .0039 0 0
	O1 1/3 2/3 .3754 .0092 .0092 .0054 .0046 0 0
	O2 .4215 0 .1612 .0131 .0072 .0087 .0036 -.0030 0
	O3 0 0 .5 2/3 .0046 .0046 .0086 .0023 0 0
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	Peprossiite-(Ce)
	Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L
	American Mineralogist 85 (2000) 586-593
	The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like
	borate with square-pyramidal coordination for Al
	Sample: Pep2
	_database_code_amcsd 0002425
	4.596 4.596 9.309 90 90 120 P-62m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	LaM2 0 0 0 .785 .0084 .0084 .0086 .0042 0 0
	ThM2 0 0 0 .215 .0084 .0084 .0086 .0042 0 0
	AlM1 .3889 0 .5 2/3 .0056 .0044 .0096 .0022 0 0
	BT 1/3 2/3 .2196 .0052 .0052 .0082 .0026 0 0
	O1 1/3 2/3 .3744 .0090 .0090 .0078 .0045 0 0
	O2 .4180 0 .1592 .0101 .0034 .0149 .0017 -.0020 0
	O3 0 0 .5 2/3 .0030 .0030 .0141 .0015 0 0
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	Forsterite
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F-refinement using CRYSTALS, the "best" model
	Fo92Fa08
	_database_code_amcsd 0002600
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00473 .00639 .00506 -.00015 -.00060 -.00109
	Fe1 0 0 0 .08 .00473 .00639 .00506 -.00015 -.00060 -.00109
	Mg2 .9901 .2776 .25 .92 .00618 .00431 .00596 .00016 0 0
	Fe2 .9901 .2776 .25 .08 .00618 .00431 .00596 .00016 0 0
	Si .4267 .0943 .25 .00309 .00374 .00447 .00011 0 0
	O1 .7659 .0917 .25 .00361 .00651 .00605 .00013 0 0
	O2 .2208 .4475 .25 .00551 .00385 .00647 -.00008 0 0
	O3 .2781 .1633 .0333 .00545 .00620 .00573 .00028 -.00015 .00156
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	Forsterite
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F**2-refinement using CRYSTALS
	Fo92Fa08
	_database_code_amcsd 0002601
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00473 .00632 .00511 .00018 -.00065 -.00107
	Fe1 0 0 0 .08 .00473 .00632 .00511 .00018 -.00065 -.00107
	Mg2 .9901 .2776 .25 .92 .00619 .00422 .00595 .00010 0 0
	Fe2 .9901 .2776 .25 .08 .00619 .00422 .00595 .00010 0 0
	Si .4267 .0943 .25 .00308 .00375 .00452 .00014 0 0
	O1 .7661 .0918 .25 .00357 .00658 .00599 .00023 0 0
	O2 .2208 .4475 .25 .00554 .00388 .00655 .00002 0 0
	O3 .2781 .1633 .0333 .00547 .00624 .00565 .00032 -.00020 .00150
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	Forsterite
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F**2-refinement using SHELX-97
	Fo92Fa08
	_database_code_amcsd 0002602
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00476 .00643 .00511 -.00014 -.00064 -.00110
	Fe1 0 0 0 .08 .00476 .00643 .00511 .00014 -.00064 -.00110
	Mg2 .9901 .2776 .25 .93 .00621 .00433 .00599 .00014 0 0
	Fe2 .9901 .2776 .25 .07 .00621 .00433 .00599 .00014 0 0
	Si .4267 .0943 .25 .00314 .00379 .00450 .00010 0 0
	O1 .7661 .0917 .25 .00361 .00649 .00603 .00011 0 0
	O2 .2208 .4475 .25 .00554 .00385 .00645 -.00010 0 0
	O3 .2781 .1633 .0333 .00543 .00619 .00573 .00029 -.00015 .00154
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	Forsterite
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F-refinement using CRYSTALS on the 2491 reflections with Fo/sFo>1
	Fo92Fa08
	_database_code_amcsd 0002603
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00474 .00639 .00509 -.00014 -.00061 -.00110
	Fe1 0 0 0 .08 .00474 .00639 .00509 -.00014 -.00061 -.00110
	Mg2 .9901 .2776 .25 .93 .00618 .00432 .00596 .00017 0 0
	Fe2 .9901 .2776 .25 .07 .00618 .00432 .00596 .00017 0 0
	Si .4267 .0943 .25 .00309 .00374 .00447 .00011 0 0
	O1 .7660 .0917 .25 .00361 .00651 .00605 .00013 0 0
	O2 .2208 .4475 .25 .00551 .00385 .00647 -.00008 0 0
	O3 .2781 .1633 .0333 .00545 .00620 .00573 .00027 -.00015 .00156
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	Forsterite
	Merli M, Oberti R, Caucia F, Ungaretti L
	American Mineralogist 86 (2001) 55-65
	Determination of site population in olivine: Warnings on X-ray data
	treatment and refinement
	Sample: F-refinement using CRYSTALS on the 463 reflections with sin(theta)/lambda>.7
	Fo92Fa08
	_database_code_amcsd 0002604
	4.7579 10.2151 5.9890 90 90 90 Pbnm
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 0 0 0 .92 .00640 .00805 .00621 .00000 -.00060 -.00091
	Fe1 0 0 0 .08 .00640 .00805 .00621 .00000 -.00060 -.00091
	Mg2 .9904 .2776 .25 .93 .00810 .00640 .00728 .00013 0 0
	Fe2 .9904 .2776 .25 .07 .00810 .00640 .00728 .00013 0 0
	Si .4265 .0943 .25 .00480 .00585 .00579 .00000 0 0
	O1 .7664 .0917 .25 .00670 .00850 .00720 .00000 0 0
	O2 .2205 .4477 .25 .00730 .00610 .00720 .00070 0 0
	O3 .2782 .1632 .0334 .00800 .00800 .00740 .00027 -.00007 .00120
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	Hydroxylchondrodite
	Lager G A, Ulmer P, Miletich R, Marshall W G
	American Mineralogist 86 (2001) 176-180
	O-D...O bond geometry in OD-chondrodite
	_database_code_amcsd 0002625
	4.74711 10.34888 7.90228 108.678 90 90 P2_1/b
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg1 .5 0 .5 .0062
	Mg2 .00757 .17530 .30786 .0058
	Mg3 .48867 .88362 .07700 .0057
	Si .07907 .14085 .70210 .0030
	O1 .77429 .00303 .29532 .0057
	O2 .72763 .24381 .12865 .0049
	O3 .22440 .16834 .52880 .0067
	O4 .26198 .85634 .29678 .0064
	O5 .26277 .05998 .10482 .0123 .0138 .0091 .0137 .0060 .0096 .0037
	D1 .0886 .0192 .0168 .0467 .048 .030 .052 -.002 -.032 -.002
	D2 .4339 .1002 .2035 .0385 .032 .048 .030 -.001 -.008 .005
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 0.0001 GPa, X-ray
	_database_code_amcsd 0002860
	4.7328 10.2765 7.8760 109.081 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .90 .009
	FeM1 1/2 0 1/2 .10 .009
	MgM2 .0115 .1731 .3076 .008
	MgM3 .4922 .8868 .0783 .010
	Si .0773 .1432 .7051 .0085
	O1 .782 -.001 .295 .013
	O2 .727 .243 .125 .011
	O3 .223 .165 .532 .013
	O4 .266 .852 .296 .013
	OH5 .261 .056 .100 .42 .014
	F5 .261 .056 .100 .58 .014
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 4.952 GPa, X-ray
	_database_code_amcsd 0002861
	4.6881 10.1222 7.7660 108.989 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .90 .010
	FeM1 1/2 0 1/2 .10 .010
	MgM2 .0097 .1746 .3054 .008
	MgM3 .4917 .8871 .0791 .009
	Si .0760 .1441 .7045 .008
	O1 .780 .000 .2936 .014
	O2 .729 .241 .125 .011
	O3 .225 .167 .5286 .014
	O4 .2678 .854 .293 .013
	OH5 .2581 .057 .0985 .42 .014
	F5 .2581 .057 .0985 .58 .014
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 9.550 GPa, X-ray
	_database_code_amcsd 0002862
	4.65459 10.0033 7.6828 108.939 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .90 .010
	FeM1 1/2 0 1/2 .10 .010
	MgM2 .0106 .1748 .3054 .009
	MgM3 .4924 .8885 .0800 .010
	Si .0754 .1444 .7038 .010
	O1 .778 .001 .296 .014
	O2 .7306 .239 .123 .010
	O3 .228 .169 .526 .013
	O4 .2694 .853 .295 .013
	OH5 .2581 .056 .0983 .42 .015
	F5 .2581 .056 .0983 .58 .015
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 1.26 GPa, Neutron
	_database_code_amcsd 0002863
	4.7179 10.2247 7.8290 109.01 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .0025
	MgM2 .013 .1748 .306 .0025
	MgM3 .495 .8870 .0796 .0025
	Si .0772 .1417 .703 .006
	O1 .775 .0017 .297 .0049
	O2 .732 .2419 .124 .0049
	O3 .225 .1681 .528 .0049
	O4 .267 .8570 .296 .0049
	O5 .263 .058 .103 .45 .008
	F5 .263 .058 .103 .55 .008
	D .108 .022 .019 .45 .040
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 2.89 GPa, Neutron
	_database_code_amcsd 0002864
	4.7024 10.1742 7.7938 109.00 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .0034
	MgM2 .010 .1748 .305 .0034
	MgM3 .501 .8860 .079 .0034
	Si .0767 .1410 .706 .004
	O1 .774 .0034 .299 .0063
	O2 .729 .2394 .124 .0063
	O3 .223 .1695 .530 .0063
	O4 .266 .8578 .300 .0063
	O5 .263 .059 .106 .45 .002
	F5 .263 .059 .106 .55 .002
	D .103 .022 .020 .45 .030
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 3.87 GPa, Neutron
	_database_code_amcsd 0002865
	4.6939 10.1458 7.7722 108.98 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .0013
	MgM2 .011 .1746 .3050 .0013
	MgM3 .493 .8858 .0786 .0013
	Si .0769 .1407 .704 .003
	O1 .771 .0022 .295 .0052
	O2 .731 .2413 .124 .0052
	O3 .227 .1685 .5278 .0052
	O4 .2676 .8565 .297 .0052
	O5 .262 .059 .103 .45 .006
	F5 .262 .059 .103 .55 .006
	D .099 .021 .024 .45 .031
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 5.27 GPa, Neutron
	_database_code_amcsd 0002866
	4.6827 10.1055 7.7449 108.98 90 90 P2_1/b
	atom x y z occ Uiso
	MgM1 1/2 0 1/2 .0022
	MgM2 .011 .1750 .303 .0022
	MgM3 .494 .8864 .0781 .0022
	Si .0775 .1409 .702 .001
	O1 .773 .0022 .296 .0052
	O2 .729 .2411 .123 .0052
	O3 .227 .1692 .525 .0052
	O4 .268 .8565 .296 .0052
	O5 .264 .0572 .101 .45 .002
	F5 .264 .0572 .101 .55 .002
	D .105 .015 .024 .45 .038
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	Chondrodite
	Friedrich A, Lager G A, Ulmer P, Kunz M, Marshall W G
	American Mineralogist 87 (2002) 931-939
	High-pressure single-crystal X-ray and powder neutron study of
	F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding
	Sample: P = 7.04 GPa, Neutron
	_database_code_amcsd 0002867
	4.6688 10.0589 7.7127 108.98 90 90 P2_1/b
	atom x y z occ Uiso
	Mg1 1/2 0 1/2 .0007
	Mg2 .012 .1746 .304 .0007
	Mg3 .497 .8878 .0787 .0007
	Si .0770 .1419 .705 .001
	O1 .774 .0028 .294 .0030
	O2 .735 .2391 .123 .0030
	O3 .225 .1696 .525 .0030
	O4 .268 .8565 .295 .0030
	O5 .261 .057 .100 .45 .006
	F5 .261 .057 .100 .55 .006
	D .102 .021 .027 .45 .037
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	Vicanite-(Ce)
	Ballirano P, Callegari A, Caucia F, Maras A, Mazzi F, Ungaretti L
	American Mineralogist 87 (2002) 1139-1143
	The crystal structure of vicanite - (Ce), a borosilicate showing an unusual
	(Si3B3O18) polyanion
	_database_code_amcsd 0002883
	10.8112 10.8112 27.3296 90 90 120 R3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	CeM1 -.13188 .13188 -.31881 .751 .0096 .0092 .0092 .0087 .0033 .0007 -.0007
	CaM1 -.13188 .13188 -.31881 .249 .0096 .0092 .0092 .0087 .0033 .0007 -.0007
	LaM2 -.13794 .13794 .09655 .738 .0121 .0135 .0135 .0097 .0069 -.0008 .0008
	CaM2 -.13794 .13794 .09655 .262 .0121 .0135 .0135 .0097 .0069 -.0008 .0008
	CaM3 .11490 -.11490 -.09790 .992 .0149 .0158 .0158 .0156 .0097 .0018 -.0018
	CeM3 .11490 -.11490 -.09790 .008 .0149 .0158 .0158 .0156 .0097 .0018 -.0018
	CaM4 .13025 -.13025 .46683 .983 .0151 .0132 .0132 .0111 .0008 .0020 -.0020
	CeM4 .13025 -.13025 .46683 .017 .0151 .0132 .0132 .0111 .0008 .0020 -.0020
	ThM5 .14125 -.14125 .21736 .816 .0088 .0082 .0082 .0088 .0033 -.0002 .0002
	CaM5 .14125 -.14125 .21736 .184 .0088 .0082 .0082 .0088 .0033 -.0002 .0002
	Fe 0 0 0 .823 .0064 .0070 .0070 .0051 .0035 0 0
	Al 0 0 0 .177 .0064 .0070 .0070 .0051 .0035 0 0
	Si1 .1692 -.1692 .0431 .0087 .0091 .0091 .0091 .0055 -.0001 .0001
	Si2 -.1701 .1701 -.0404 .0084 .0083 .0083 .0089 .0043 .0001 -.0001
	B1 -.0780 .0780 .2926 .0098 .0111 .0111 .0076 .0058 -.0006 .0006
	B2 0 0 .1467 .0156 .0143 .0143 .0182 .0072 0 0
	As1 0 0 -.2107 .773 .0088 .0092 .0092 .0078 .0046 0 0
	P1 0 0 -.2107 .227 .0088 .0092 .0092 .0078 .0046 0 0
	As2 0 0 -.4576 .417 .0074 .0078 .0078 .0067 .0039 0 0
	Na 0 0 -.4264 .583 .0238 .0311 .0311 .0091 .0156 0 0
	O1 .0821 -.0821 .0452 .0111 .0116 .0116 .0135 .0082 .0002 -.0002
	O2 .1867 -.1867 -.0149 .0120 .0164 .0164 .0089 .0124 .0013 -.0013
	O3 .3233 -.0680 .0694 .0132 .0122 .0137 .0132 .0060 -.0033 -.0017
	O4 -.0837 .0837 -.0490 .0120 .0110 .0110 .0157 .0069 -.0001 .0001
	O5 -.1926 .1926 .0170 .0124 .0144 .0144 .0095 .0080 -.0003 .0003
	O6 -.3277 .0783 -.0643 .0151 .0108 .0145 .0142 .0020 -.0033 -.0010
	O7 .0761 -.0761 .3045 .0089 .0081 .0081 .0114 .0049 -.0003 .0003
	O8 -.0951 .0951 .2389 .0096 .0122 .0122 .0078 .0087 -.0009 .0009
	O9 .0728 -.0728 .1443 .0135 .0152 .0152 .0133 .0099 -.0005 .0005
	O10 0 0 -.1491 .0161 .0153 .0153 .0175 .0077 0 0
	O11 .1605 .0460 -.2332 .5 .0191 .0125 .0289 .0147 .0094 -.0006 -.0008
	O12 -.0812 .0812 -.4922 .417 .0185 .0156 .0156 .0239 .0074 .0001 -.0001
	F12 -.0812 .0812 -.4922 .583 .0185 .0156 .0156 .0239 .0074 .0001 -.0001
	F13 0 0 -.3366 .0258 .0174 .0174 .0425 .0087 0 0
	F14 .0212 .3058 -.1612 .0200 .0165 .0197 .0235 .0088 -.0072 -.0017
	Wat 0 0 .435 .21 .0200
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, in air
	_database_code_amcsd 0004146
	9.6912 8.8986 5.2531 90 105.990 90 C2/c
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Ca2 0 .30245 .25 .88 .896 .00315 .00222 .00716 0 -.00010 0
	K2 0 .30245 .25 .12 .896 .00315 .00222 .00716 0 -.00010 0
	Mg1 0 .90703 .25 .83 .51 .00143 .00169 .00454 0 .00042 0
	Al1 0 .90703 .25 .17 .51 .00143 .00169 .00454 0 .00042 0
	Si .28620 .09297 .22578 .99 .427 .00115 .00151 .00400 .00002 .00061 -.00017
	Al .28620 .09297 .22578 .01 .427 .00115 .00151 .00400 .00002 .00061 -.00017
	O1 .11410 .08445 .13811 .83 .00128 .00394 .00797 .00025 .00105 -.00028
	O2 .35996 .25132 .31167 .94 .00364 .00202 .00935 -.00071 .00189 -.00077
	O3 .35013 .01660 .99295 .69 .00166 .00281 .00628 -.00006 .00109 -.00104
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, in diamond cell, P = 0 GPa
	_database_code_amcsd 0004147
	9.6912 8.8986 5.2531 90 105.990 90 C2/c
	atom x y z occ Biso
	Ca2 0 .30244 .25 .88 .87
	K2 0 .30244 .25 .12 .87
	Mg1 0 .9070 .25 .83 .52
	Al1 0 .9070 .25 .17 .52
	Si .28611 .09289 .2257 .99 .43
	Al .28611 .09289 .2257 .01 .43
	O1 .1140 .0844 .1382 .91
	O2 .3596 .2514 .3113 .94
	O3 .3501 .0165 .9926 .67
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, P = .46 GPa
	_database_code_amcsd 0004148
	9.6828 8.8880 5.2482 90 105.951 90 C2/c
	atom x y z occ Biso
	Ca2 0 .3025 .25 .88 1.05
	K2 0 .3025 .25 .12 1.05
	Mg1 0 .9070 .25 .83 .66
	Al1 0 .9070 .25 .17 .66
	Si .2861 .0931 .2254 .99 .60
	Al .2861 .0931 .2254 .01 .60
	O1 .1146 .0845 .1375 1.02
	O2 .3607 .2523 .3124 1.08
	O3 .3500 .0167 .9932 .91
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, P = 2.45 GPa
	_database_code_amcsd 0004149
	9.6313 8.8327 5.2212 90 105.746 90 C2/c
	atom x y z occ Biso
	Ca2 0 .3036 .25 .88 1.00
	K2 0 .3036 .25 .12 1.00
	Mg1 0 .9077 .25 .83 .62
	Al1 0 .9077 .25 .17 .62
	Si .2858 .0935 .2248 .99 .59
	Al .2858 .0935 .2248 .01 .59
	O1 .1142 .0849 .1386 1.03
	O2 .3599 .2533 .3131 1.05
	O3 .3509 .0178 .9910 .83
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, P = 5.36 GPa
	_database_code_amcsd 0004150
	9.5674 8.7596 5.1863 90 105.520 90 C2/c
	atom x y z occ Biso
	Ca2 0 .3044 .25 .88 1.29
	K2 0 .3044 .25 .12 1.29
	Mg1 0 .9087 .25 .83 .98
	Al1 0 .9087 .25 .17 .98
	Si .2860 .0941 .2249 .99 .96
	Al .2860 .0941 .2249 .01 .96
	O1 .1119 .0846 .1370 1.40
	O2 .3582 .2549 .3144 1.36
	O3 .3520 .0190 .9880 1.12
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, P = 8.11 GPa
	_database_code_amcsd 0004151
	9.5089 8.6937 5.1545 90 105.344 90 C2/c
	atom x y z occ Biso
	Ca2 0 .3053 .25 .88 .85
	K2 0 .3053 .25 .12 .85
	Mg1 0 .9091 .25 .83 .63
	Al1 0 .9091 .25 .17 .63
	Si .2863 .0947 .2247 .99 .54
	Al .2863 .0947 .2247 .01 .54
	O1 .1136 .0853 .1385 .95
	O2 .3594 .2566 .3155 .98
	O3 .3529 .0207 .9873 .81
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	Diopside
	Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
	American Mineralogist 91 (2006) 802-808
	Compressibility of synthetic potassium-rich clinopyroxene:
	In situ high-pressure single-crystal X-ray study
	Sample: 939-1, P = 9.72 GPa
	_database_code_amcsd 0004152
	9.4762 8.6541 5.1356 90 105.269 90 C2/c
	atom x y z occ Biso
	Ca2 0 .3058 .25 .88 .79
	K2 0 .3058 .25 .12 .79
	Mg1 0 .9098 .25 .83 .55
	Al1 0 .9098 .25 .17 .55
	Si .2862 .0948 .2247 .99 .53
	Al .2862 .0948 .2247 .01 .53
	O1 .1124 .0852 .1385 .86
	O2 .3588 .2577 .3170 .93
	O3 .3541 .0211 .9872 .72
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	Goldmanite
	Uher P, Kovacik M, Kubis M, Shtukenberg A, Ozdin D
	American Mineralogist 93 (2008) 63-73
	Metamorphic vanadian-chromian silicate mineralization in carbon-rich amphicole
	schists from the Male Karpaty Mountains, Western Carpathians, Slovakia
	Locality: Pezinok-Pernek crystalline complex, Male Karpaty Mountains, Slovakia
	_database_code_amcsd 0004491
	12.001 12.001 12.001 90 90 90 Ia-3d
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .25 .125 .0094 .0106 .0106 .0070 .0013 0 0
	AlM 0 0 0 .29 .0068 .0068 .0068 .0068 .0068 .0068 .0003
	VM 0 0 0 .47 .0068 .0068 .0068 .0068 .0068 .0068 .0003
	CrM 0 0 0 .24 .0068 .0068 .0068 .0068 .0068 .0068 .0003
	Si 0 .25 .375 .0086 .0092 .0092 .0075 0 0 0
	O .03912 .04763 .65442 .0100 .0122 .0090 .0089 .0003 -.0002 .0007
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	CaFe2O4
	Yamanaka T, Uchida A, Nakamoto Y
	American Mineralogist 93 (2008) 1874-1881
	Structural transition of post-spinel phases CaMn2O4, CaFe2O4, and CaTi2O4
	under high pressures up to 80 GPa
	Locality: synthetic
	Note: Pressure = 63.3 GPa
	_database_code_amcsd 0004768
	8.376 9.551 8.353 90 90 90 Pnam
	atom x y z
	Ca1 .780 .332 .25
	Ca2 .715 .851 .085
	Fe1 .397 .390 .25
	Fe2 .403 .898 .25
	Fe3 .567 .614 .087
	Fe4 .087 .395 .082
	O1 .208 .838 .25
	O2 .136 .534 .25
	O3 .494 .227 .25
	O4 .410 .574 .25
	O5 .787 .160 .073
	O6 .885 .477 .083
	O7 .485 .779 .090
	O8 .085 .078 .116
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	CaTi2O4
	Yamanaka T, Uchida A, Nakamoto Y
	American Mineralogist 93 (2008) 1874-1881
	Structural transition of post-spinel phases CaMn2O4, CaFe2O4, and CaTi2O4
	under high pressures up to 80 GPa
	Locality: synthetic
	Note: Pressure = 80 GPa
	_database_code_amcsd 0004769
	9.086 9.335 8.585 90 90 90 Bbmm
	atom x y z
	Ca1 .381 .25 0
	Ca2 .118 .75 .166
	Ti1 .127 .064 0
	Ti2 .372 .935 .1667
	O11 .5 0 .0
	O12 0 0 .1667
	O21 .059 .25 0
	O22 .440 .75 .166
	O31 .230 -.106 0
	O32 .269 .393 .1667
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 0.0001 GPa
	_database_code_amcsd 0004897
	9.644 8.749 5.304 90 106.96 90 C2/c
	atom x y z Uiso
	Na 0 .3017 .25 .0147
	V 0 .9050 .25 .0062
	Si .2913 .0909 .2390 .0076
	O1 .1159 .0790 .1446 .0080
	O2 .3605 .2577 .3058 .0113
	O3 .3519 .0090 .0135 .0097
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 1.52 GPa
	_database_code_amcsd 0004898
	9.614 8.706 5.278 90 106.86 90 C2/c
	atom x y z Uiso
	Na 0 .3021 .25 .0165
	V 0 .9056 .25 .0078
	Si .2918 .0916 .2393 .0076
	O1 .1153 .0802 .1439 .0066
	O2 .3602 .2574 .3098 .0110
	O3 .3525 .0113 .0101 .089
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 3.47 GPa
	_database_code_amcsd 0004899
	9.566 8.659 5.252 90 106.82 90 C2/c
	atom x y z Uiso
	Na 0 .3049 .25 .0151
	V 0 .9059 .25 .0072
	Si .2921 .0918 .2397 .0076
	O1 .1143 .0823 .1451 .0076
	O2 .3605 .2590 .3123 .0110
	O3 .3528 .0133 .0091 .0101
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 7.18 GPa
	_database_code_amcsd 0004900
	9.496 8.568 5.201 90 106.25 90 C2/c
	atom x y z Uiso
	Na 0 .3064 .25 .0134
	V 0 .9068 .25 .0074
	Si .2922 .0930 .2401 .0067
	O1 .1157 .0831 .1455 .0061
	O2 .3596 .2605 .3183 .0102
	O3 .3553 .0168 .0044 .0090
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 9.39 GPa
	_database_code_amcsd 0004901
	9.469 8.521 5.169 90 105.99 90 C2/c
	atom x y z Uiso
	Na 0 .3081 .25 .0134
	V 0 .9078 .25 .0062
	Si .2921 .0934 .2399 .0062
	O1 .1150 .0845 .1457 .0055
	O2 .3601 .2612 .3220 .0092
	O3 .3550 .0188 .0021 .0083
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 10.93 GPa
	_database_code_amcsd 0004902
	9.453 8.490 5.150 90 105.89 90 C2/c
	atom x y z Uiso
	Na 0 .3097 .25 .0121
	V 0 .9076 .25 .0059
	Si .2920 .0937 .2400 .0067
	O1 .1153 .0844 .1459 .0043
	O2 .3605 .2607 .3238 .0096
	O3 .3563 .0193 .0005 .0082
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 7.62 GPa
	_database_code_amcsd 0004903
	9.483 8.565 5.193 90 106.13 90 C2/c
	atom x y z Uiso
	Na 0 .3068 .25 .0145
	V 0 .9072 .25 .0069
	Si .2921 .0928 .2399 .0069
	O1 .1154 .0829 .1457 .0062
	O2 .3615 .2594 .3200 .0087
	O3 .3558 .0176 .0037 .0095
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 4.61 GPa
	_database_code_amcsd 0004904
	9.545 8.634 5.233 90 106.59 90 C2/c
	atom x y z Uiso
	Na 0 .3049 .25 .0158
	V 0 .9062 .25 .0069
	Si .2918 .0926 .2398 .0065
	O1 .1148 .0809 .1448 .0045
	O2 .3613 .2581 .3153 .0077
	O3 .3543 .0137 .0076 .0098
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	NaVSi2O6
	Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H
	American Mineralogist 94 (2009) 557-564
	Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa
	Note: P = 6.10 GPa
	_database_code_amcsd 0004905
	9.519 8.598 5.208 90 106.31 90 C2/c
	atom x y z Uiso
	Na 0 .3055 .25 .0142
	V 0 .9067 .25 .0061
	Si .2920 .0923 .2400 .0061
	O1 .1148 .0817 .1453 .0052
	O2 .3610 .2582 .3170 .0077
	O3 .3550 .0155 .0047 .0086
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample HO19
	Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
	_database_code_amcsd 0004917
	8.1584 8.1584 8.1584 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .75 .00781
	Fe3+T .125 .125 .125 .01 .00781
	AlT .125 .125 .125 .17 .00781
	MgT .125 .125 .125 .05 .00781
	AlM .5 .5 .5 .897 .00627
	Fe2+M .5 .5 .5 .046 .00627
	MgM .5 .5 .5 .044 .00627
	Fe3+M .5 .5 .5 .013 .00627
	O .26371 .26371 .26371 .0119
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample AVMa8.9
	Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
	_database_code_amcsd 0004918
	8.1511 8.1511 8.1511 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .77 .00734
	Fe3+T .125 .125 .125 .01 .00734
	AlT .125 .125 .125 .16 .00734
	MgT .125 .125 .125 .04 .00734
	AlM .5 .5 .5 .894 .00549
	Fe2+M .5 .5 .5 .051 .00549
	MgM .5 .5 .5 .038 .00549
	Fe3+M .5 .5 .5 .021 .00549
	O .26393 .26393 .26393 .01082
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample AVHz20
	Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
	_database_code_amcsd 0004919
	8.1517 8.1517 8.1517 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .77 .00732
	Fe3+T .125 .125 .125 .02 .00732
	AlT .125 .125 .125 .14 .00732
	MgT .125 .125 .125 .06 .00732
	AlM .5 .5 .5 .883 .00506
	Fe2+M .5 .5 .5 .044 .00506
	MgM .5 .5 .5 .043 .00506
	Fe3+M .5 .5 .5 .028 .00506
	TiM .5 .5 .5 .002 .00506
	O .26405 .26405 .26405 .0105
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample HO15
	Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
	_database_code_amcsd 0004920
	8.1504 8.1504 8.1504 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .73 .00771
	Fe3+T .125 .125 .125 .02 .00771
	AlT .125 .125 .125 .18 .00771
	MgT .125 .125 .125 .06 .00771
	AlM .5 .5 .5 .875 .00584
	Fe2+M .5 .5 .5 .059 .00584
	MgM .5 .5 .5 .045 .00584
	Fe3+M .5 .5 .5 .015 .00584
	TiM .5 .5 .5 .003 .00584
	MnM .5 .5 .5 .003 .00584
	O .26352 .26352 .26352 .0123
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample HO27BC
	Locality: El Hoyazo, lavas of the Neogene Volcanic Province of SE Spain
	_database_code_amcsd 0004921
	8.1474 8.1474 8.1474 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .74 .00723
	Fe3+T .125 .125 .125 .02 .00723
	AlT .125 .125 .125 .16 .00723
	MgT .125 .125 .125 .07 .00723
	AlM .5 .5 .5 .881 .00504
	Fe2+M .5 .5 .5 .046 .00504
	MgM .5 .5 .5 .047 .00504
	Fe3+M .5 .5 .5 .020 .00504
	TiM .5 .5 .5 .002 .00504
	MnM .5 .5 .5 .003 .00504
	ZnM .5 .5 .5 .001 .00504
	O .26385 .26385 .26385 .0106
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample 441A
	Locality: the Anga metamorphic complex, Lake Baikal, Russia
	_database_code_amcsd 0004922
	8.1460 8.1460 8.1460 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .77 .00633
	Fe3+T .125 .125 .125 .01 .00633
	AlT .125 .125 .125 .11 .00633
	MgT .125 .125 .125 .10 .00633
	AlM .5 .5 .5 .928 .0044
	Fe2+M .5 .5 .5 .019 .0044
	MgM .5 .5 .5 .045 .0044
	Fe3+M .5 .5 .5 .011 .0044
	O .26471 .26471 .26471 .0071
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	Hercynite
	Lavina B, Cesare B, Alvarez-Valero A M, Uchida H, Downs R T, Koneva A, Dera P
	American Mineralogist 94 (2009) 657-665
	Closure temperatures of intracrystalline ordering in anatectic and metamorphic
	hercynite, Fe2+Al2O4
	Note: Sample 441B
	Locality: the Anga metamorphic complex, Lake Baikal, Russia
	_database_code_amcsd 0004923
	8.1451 8.1451 8.1451 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	Fe2+T .125 .125 .125 .76 .00582
	Fe3+T .125 .125 .125 .02 .00582
	AlT .125 .125 .125 .11 .00582
	MgT .125 .125 .125 .11 .00582
	AlM .5 .5 .5 .917 .00411
	Fe2+M .5 .5 .5 .013 .00411
	MgM .5 .5 .5 .048 .00411
	Fe3+M .5 .5 .5 .016 .00411
	TiM .5 .5 .5 .004 .00411
	VM .5 .5 .5 .002 .00411
	O .26464 .26464 .26464 .00724
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	Oxy-schorl
	Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
	Skoda R, Breiter K, Klementova M, Duda R, Groat L A
	American Mineralogist 98 (2013) 485-492
	Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
	Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
	Locality: Zlata Idka, Slovak Republic
	_database_code_amcsd 0019853
	15.916 15.916 7.1071 90 90 120 R3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na 0 0 .0825 .591 .0229 .0223 .0223 .024 .0111 0 0
	Ca 0 0 .0825 .103 .0229 .0223 .0223 .024 .0111 0 0
	AlY .12237 .06118 .50346 .6283 .0119 .0113 .0098 .0151 .0057 -.0019 -.00095
	FeY .12237 .06118 .50346 .3693 .0119 .0113 .0098 .0151 .0057 -.0019 -.00095
	MnY .12237 .06118 .50346 .0017 .0119 .0113 .0098 .0151 .0057 -.0019 -.00095
	TiY .12237 .06118 .50346 .0007 .0119 .0113 .0098 .0151 .0057 -.0019 -.00095
	AlZ .29700 .36937 .14311 .9047 .0104 .0113 .0109 .0098 .0060 .0001 -.0004
	MgZ .29700 .36937 .14311 .0953 .0104 .0113 .0109 .0098 .0060 .0001 -.0004
	Si .19214 .19002 .86941 .9177 .0080 .0081 .0082 .0076 .0041 -.0002 -.0008
	Al .19214 .19002 .86941 .0823 .0080 .0081 .0082 .0076 .0041 -.0002 -.0008
	B .10971 .2194 .3182 .0142 .0172 .015 .0094 .0077 -.0002 -.0004
	O1 0 0 .6394 .0269 .0314 .0314 .018 .0157 0 .000
	O2 .06060 .1212 .3556 .0210 .0251 .0147 .0197 .0073 .0001 .0002
	O3 .2620 .13101 .3745 .0189 .0291 .0171 .0144 .0146 .0005 .0003
	O4 .1869 .09346 .9640 .0198 .0243 .0168 .0208 .0121 -.0001 0
	O5 -.1883 -.09417 -.0580 .0192 .0250 .0188 .0160 .0125 .0018 .0009
	O6 .19549 .18438 .6403 .0150 .0165 .0169 .0111 .0080 .0012 .0008
	O7 .28759 .28731 .9447 .0142 .0135 .0138 .0133 .0053 .0002 -.0003
	O8 .20909 .26975 .3046 .0145 .0136 .0152 .0153 .0075 -.0001 .0018
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	Oxy-schorl
	Bacik P, Cempirek J, Uher P, Novak M, Ozdin D, Filip J,
	Skoda R, Breiter K, Klementova M, Duda R, Groat L A
	American Mineralogist 98 (2013) 485-492
	Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from
	Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic
	Locality: Pribyslavice, Czech Republic
	_database_code_amcsd 0019854
	15.9853 15.9853 7.1538 90 90 120 R3m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	NaX 0 0 .9019 .586 .0266 .0267 .0267 .0263 .0134 0 0
	CaX 0 0 .9019 .017 .0266 .0267 .0267 .0263 .0134 0 0
	KX 0 0 .9019 .006 .0266 .0267 .0267 .0263 .0134 0 0
	FeY .87496 .937481 .50264 .6263 .00869 .0087 .00611 .0121 .00433 -.00216 -.00108
	MnY .87496 .937481 .50264 .005 .00869 .0087 .00611 .0121 .00433 -.00216 -.00108
	AlY .87496 .937481 .50264 .3377 .00869 .0087 .00611 .0121 .00433 -.00216 -.00108
	TiY .87496 .937481 .50264 .031 .00869 .0087 .00611 .0121 .00433 -.00216 -.00108
	AlZ .70355 .63191 -.14783 .9553 .00590 .0062 .0058 .0058 .00309 .00034 -.00008
	MgZ .70355 .63191 -.14783 .0317 .00590 .0062 .0058 .0058 .00309 .00034 -.00008
	FeZ .70355 .63191 -.14783 .013 .00590 .0062 .0058 .0058 .00309 .00034 -.00008
	SiT .80806 .81008 .12963 .9907 .00569 .0054 .00520 .0064 .00266 -.00021 -.00044
	AlT .80806 .81008 .12963 .0093 .00569 .0054 .00520 .0064 .00266 -.00021 -.00044
	B .88991 .77981 .6753 .0076 .0077 .0074 .0074 .0037 .0000 .0000
	O1 0 0 .3485 .579 .0363 .0494 .0494 .0102 .0247 0 0
	F 0 0 .3485 .307 .0363 .0494 .0494 .0102 .0247 0 0
	OH 0 0 .3485 .115 .0363 .0494 .0494 .0102 .0247 0 0
	O2 .93822 .87643 .6435 .0151 .0207 .0069 .0132 .0035 .0004 .0008
	O3 .73144 .86572 .6201 .0123 .0213 .0123 .0063 .0107 .0007 .0004
	O4 .81267 .90634 .0387 .0103 .0145 .0074 .0114 .0072 .0011 .0006
	O5 .18631 .09316 .0618 .0104 .0149 .0082 .0105 .0075 .0012 .0006
	O6 .80182 .81238 .35415 .0089 .0090 .0103 .0070 .0047 -.0003 -.0009
	O7 .71481 .71419 .05039 .0086 .0088 .0068 .0082 .0024 -.0009 -.0008
	O8 .79017 .72936 -.31139 .0097 .0075 .0115 .0111 .0054 .0010 .0021
	H3 .735 .8677 .732 .21
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	Fluorapatite
	Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
	McCubbin F M, Woerner W R
	American Mineralogist 99 (2014) 369-376
	Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
	structure refinements of synthetic F-Cl apatite.
	Note: Sample HNF5CL5
	Locality: Synthetic
	_database_code_amcsd 0020113
	9.5104 9.5104 6.8311 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 -.00218 .01209 .01440 .01440 .00749 .00720 0 0
	Ca2 .00354 .25496 .25 .01637 .01227 .02261 .01011 .00562 0 0
	P .96903 .59805 .25 .00844 .00718 .01007 .00797 .00424 0 0
	O1 .15329 .66594 .25 .01403 .0077 .0201 .0141 .0067 0 0
	O2 .87623 .41095 .25 .0179 .0136 .0107 .0262 .0037 0 0
	O3 .9080 .6442 .0630 .70 .0164 .0108 .0268 .0112 .0092 -.0016 .0056
	O3' .9300 .6745 .0851 .30 .0164 .0108 .0268 .0112 .0092 -.0016 .0056
	Cl 0 0 0 .078 .021
	ClB 0 0 .0859 .127 .0116
	F 0 0 .25 .399 .0132
	FB 0 0 .1670 .187 .0059
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	Fluorapatite
	Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
	McCubbin F M, Woerner W R
	American Mineralogist 99 (2014) 369-376
	Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
	structure refinements of synthetic F-Cl apatite.
	Note: Sample HNF5CL5-8
	Locality: Synthetic
	_database_code_amcsd 0020114
	9.5101 9.5101 6.83000 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 -.00218 .01339 .01578 .01578 .00861 .00789 0 0
	Ca2 .00352 .25495 .25 .01767 .01366 .02398 .01123 .00630 0 0
	P .96900 .59804 .25 .00975 .00853 .01141 .00918 .00489 0 0
	O1 .15326 .66591 .25 .01538 .0094 .0215 .0149 .0075 0 0
	O2 .87623 .41101 .25 .0192 .0151 .0120 .0272 .0043 0 0
	O3 .9070 .6425 .0629 .66 .0169 .0112 .0248 .0135 .0082 -.0013 .0053
	O3' .9293 .6745 .0823 .34 .0169 .0112 .0248 .0135 .0082 -.0013 .0053
	Cl 0 0 0 .081 .025
	ClB 0 0 .0865 .131 .0139
	F 0 0 .25 .406 .0150
	FB 0 0 .1678 .180 .0060
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	Fluorapatite
	Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
	McCubbin F M, Woerner W R
	American Mineralogist 99 (2014) 369-376
	Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
	structure refinements of synthetic F-Cl apatite.
	Note: Sample HNF5CL5-9
	Locality: Synthetic
	_database_code_amcsd 0020115
	9.5100 9.5100 6.8289 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 -.00218 .01214 .01447 .01447 .00747 .00724 0 0
	Ca3 .00350 .25496 .25 .01638 .01232 .02260 .01007 .00562 0 0
	P .96902 .59804 .25 .00846 .00711 .01009 .00806 .00420 0 0
	O1 .15326 .66587 .25 .01408 .0078 .0203 .0138 .0068 0 0
	O2 .87618 .41098 .25 .0180 .0139 .0105 .0264 .0037 0 0
	O3 .9080 .6440 .0630 .70 .0162 .0108 .0262 .0113 .0091 -.0016 .0056
	O3' .9302 .6752 .0849 .30 .0162 .0108 .0262 .0113 .0091 -.0016 .0056
	Cl 0 0 0 .078 .020
	ClB 0 0 .0856 .129 .0121
	F 0 0 .25 .402 .0134
	FB 0 0 .1668 .181 .0049
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	Fluorapatite
	Hughes J M, Nekvasil H, Ustunisik G, Lindsley D H, Coraor A E, Vaughn J, Phillips B L,
	McCubbin F M, Woerner W R
	American Mineralogist 99 (2014) 369-376
	Solid solution in the fluorapatite-chlorapatite binary system: High-precision crystal
	structure refinements of synthetic F-Cl apatite.
	Note: HNF5CL5-10
	Locality: Synthetic
	_database_code_amcsd 0020116
	9.5084 9.5084 6.82930 90 90 120 P6_3/m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca1 2/3 1/3 .99782 .01217 .01451 .01451 .00750 .00725 0 0
	Ca2 .00349 .25495 .25 .01644 .01235 .02266 .01014 .00563 0 0
	P .96902 .59804 .25 .00849 .00719 .01007 .00810 .00424 0 0
	O1 .15333 .66592 .25 .01409 .0077 .0201 .0141 .0067 0 0
	O2 .87619 .41100 .25 .0180 .0140 .0105 .0262 .0037 0 0
	O3 .9079 .6441 .0629 .70 .0163 .0108 .0268 .0111 .0093 -.0017 .0054
	O3' .9300 .6746 .0852 .30 .0163 .0108 .0268 .0111 .0093 -.0017 .0054
	Cl 0 0 0 .076 .019
	ClB 0 0 .0854 .128 .0123
	F 0 0 .25 .397 .0127
	FB 0 0 .1671 .183 .0054
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	Fe2Mg2O5
	Ballaran T B, Uenver-Thiele L, Woodland A B
	American Mineralogist 100 (2015) 628-632
	Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the
	Mg2Fe2O5 end-member
	Locality: Synthetic
	_database_code_amcsd 0020340
	2.8889 9.7282 12.5523 90 90 90 Cmcm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe1 0 0 0 .4673 .0076 .0101 .0045 .0082 0 0 .0010
	Mg1 0 0 0 .5327 .0076 .0101 .0045 .0082 0 0 .0010
	Fe2 0 .26240 .11458 .7041 .00876 .0101 .0059 .0103 0 0 -.00018
	Mg2 0 .26240 .11458 .2959 .00876 .0101 .0059 .0103 0 0 -.00018
	Fe3 0 .51220 .25 .1411 .0154 .0108 .0097 .0258 0 0 .000
	Mg3 0 .51220 .25 .8589 .0154 .0108 .0097 .0258 0 0 .000
	O1 0 .1621 .25 .0115 .0139 .0091 .0117 0 0 .000
	O2 0 .3603 .54576 .0121 .0110 .0081 .0171 0 0 .0033
	O3 0 .0958 .64403 .0114 .0156 .0074 .0114 0 0 .0003
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 71-62R/1
	Locality: Black Mountains, New Hampshire, USA
	_database_code_amcsd 0005300
	7.8628 16.6128 5.65004 90. 90.093 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23317 0 .96432 .0027 .0003 .0058 0 .0011 0
	O2 .23451 0 .53428 .0029 .0003 .0056 0 -.0009 0
	O3 .25543 .16175 .01485 .0015 .0004 .0034 -.0003 .0002 -.0001
	O4 .25527 .16144 .48415 .0015 .0004 .0035 .0002 -.0001 0
	O5 .00230 .08919 .24739 .0012 .0005 .0077 0 0 -.0001
	O6 .02108 .24953 .25014 .0018 .0003 .0025 0 .0001 .0001
	O7 .52791 .10009 .24957 .0015 .0003 .0029 0 .0001 0
	Si1 .13425 .16631 .24921 .955 .001 .0002 .0024 0 0 0
	Al1 .13425 .16631 .24921 .045 .001 .0002 .0024 0 0 0
	Fe1 .39579 0 .24935 .58 .0048 .0004 .0136 0 .0003 0
	Li1 .39579 0 .24935 .1 .0048 .0004 .0136 0 .0003 0
	Al2 .39579 0 .24935 .08 .0048 .0004 .0136 0 .0003 0
	Mg1 .39579 0 .24935 .04 .0048 .0004 .0136 0 .0003 0
	Al3 .5 .17488 0 .985 .0015 .0004 .0027 0 -.0001 0
	Fe2 .5 .17488 0 .015 .0015 .0004 .0027 0 -.0001 0
	Al4 .5 .17447 .5 .985 .0017 .0004 .0026 0 .0002 0
	Fe3 .5 .17447 .5 .015 .0017 .0004 .0026 0 .0002 0
	Al5 .26458 .41003 .25092 .975 .0017 .0004 .0044 .0001 0 0
	Fe4 .26458 .41003 .25092 .025 .0017 .0004 .0044 .0001 0 0
	Al6 0 0 0 .53 .0017 .0004 .0036 0 .0011 0
	Mg2 0 0 0 .012 .0017 .0004 .0036 0 .0011 0
	Al7 0 0 .5 .35 .0017 .0004 .0025 0 -.0014 0
	Mg3 0 0 .5 .008 .0017 .0004 .0025 0 -.0014 0
	Fe5 .5 0 0 .14 .7
	Fe6 .5 0 .5 .075 .68
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 71-62R/6
	Locality: Black Mountains, New Hampshire, USA
	_database_code_amcsd 0005301
	7.8633 16.6118 5.6505 90 90.139 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23294 0 .96384 .0028 .0004 .0065 0 .0013 0
	O2 .23517 0 .53406 .0035 .0004 .0063 0 -.0004 0
	O3 .25552 .16185 .01478 .0017 .0004 .0037 -.0002 .0004 -.0001
	O4 .25501 .16141 .48407 .0018 .0005 .0037 .0002 0 0
	O5 .00210 .08915 .24599 .0015 .0005 .0087 0 .0001 -.0001
	O6 .02107 .24952 .25030 .0021 .0004 .0034 0 .0001 .0002
	O7 .52780 .10008 .24931 .0017 .0004 .0036 0 .0001 0
	Si1 .13422 .16631 .24880 .96 .0013 .0003 .0032 0 .0001 0
	Al1 .13422 .16631 .24880 .04 .0013 .0003 .0032 0 .0001 0
	Fe1 .39579 0 .24935 .6 .0049 .0004 .0139 0 .0004 0
	Li1 .39579 0 .24935 .1 .0049 .0004 .0139 0 .0004 0
	Al2 .39579 0 .24935 .065 .0049 .0004 .0139 0 .0004 0
	Mg1 .39579 0 .24935 .04 .0049 .0004 .0139 0 .0004 0
	Al3 .5 .17490 0 .99 .0019 .0004 .0033 0 .0001 0
	Fe3 .5 .17490 0 .01 .0019 .0004 .0033 0 .0001 0
	Al4 .5 .17434 .5 .99 .0018 .0004 .0033 0 .0003 0
	Fe4 .5 .17434 .5 .01 .0018 .0004 .0033 0 .0003 0
	Al5 .26433 .41005 .25136 .98 .0019 .0004 .0047 .0001 .0001 0
	Fe5 .26458 .41005 .25136 .02 .0019 .0004 .0047 .0001 .0001 0
	Al6 0 0 0 .53 .0019 .0004 .0044 0 .0009 0
	Fe6 0 0 0 .022 .0019 .0004 .0044 0 .0009 0
	Al7 0 0 .5 .315 .0015 .0003 .0042 0 -.0009 0
	Fe7 0 0 .5 .013 .0015 .0003 .0042 0 -.0009 0
	Fe8 .5 0 0 .14 .737
	Fe9 .5 0 .5 .06 .728
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 71-62R/5
	Locality: Black Mountains, New Hampshire, USA
	_database_code_amcsd 0005302
	7.8647 16.6081 5.6511 90 90.226 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23197 0 .96278 .0028 .0004 .0061 0 .0013 0
	O2 .23589 0 .53283 .0034 .0004 .0071 0 -.0001 0
	O3 .25578 .16199 .01416 .0016 .0005 .0038 -.0002 .0002 0
	O4 .25477 .16127 .48390 .0017 .0004 .0042 .0002 .0001 -.0001
	O5 .00212 .08891 .24298 .0015 .0005 .0083 0 0 -.0001
	O6 .02093 .24954 .25039 .0021 .0003 .0036 .0001 0 .0002
	O7 .52750 .10007 .24900 .0017 .0004 .0043 0 0 0
	Si1 .13433 .16625 .24788 .96 .0012 .0003 .0034 0 0 0
	Al1 .13433 .16625 .24788 .04 .0012 .0003 .0034 0 0 0
	Fe1 .39526 0 .24796 .61 .005 .0004 .0133 0 .0005 0
	Li1 .39526 0 .24796 .1 .005 .0004 .0133 0 .0005 0
	Al2 .39526 0 .24796 .05 .005 .0004 .0133 0 .0005 0
	Mg1 .39526 0 .24796 .04 .005 .0004 .0133 0 .0005 0
	Al3 .5 .17490 0 .98 .0018 .0004 .0037 0 0 0
	Fe3 .5 .17490 0 .012 .0018 .0004 .0037 0 0 0
	Mg2 .5 .17490 0 .008 .0018 .0004 .0037 0 0 0
	Al4 .5 .17434 .5 .98 .0017 .0004 .0035 0 .0002 0
	Fe4 .5 .17434 .5 .012 .0017 .0004 .0035 0 .0002 0
	Mg3 .5 .17434 .5 .008 .0017 .0004 .0035 0 .0002 0
	Al5 .26433 .41005 .25136 .99 .0017 .0004 .0048 .0001 .0001 0
	Fe5 .26458 .41005 .25136 .01 .0017 .0004 .0048 .0001 .0001 0
	Al6 0 0 0 .6 .0018 .0004 .0049 0 .001 0
	Fe6 0 0 0 .03 .0018 .0004 .0049 0 .001 0
	Al7 0 0 .5 .25 .0018 .0003 .0043 0 -.0013 0
	Fe7 0 0 .5 .015 .0018 .0003 .0043 0 -.0013 0
	Fe8 .5 0 0 .18 .705
	Fe9 .5 0 .5 .03 .623
	H1 .125 0 .445 2.54
	H2 .125 0 .055 .04 2.54
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: EH-6/6
	Locality: Emery Hill, New York, USA
	_database_code_amcsd 0005303
	7.8787 16.6243 5.6611 90 90.004 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23627 0 .96568 .004 .0003 .0076 0 .0011 0
	O2 .23615 0 .53367 .0039 .0003 .0078 0 -.0014 0
	O3 .25480 .16105 .01570 .0016 .0004 .0039 -.0001 .0002 0
	O4 .25472 .16102 .48426 .0015 .0004 .0035 .0002 -.0001 0
	O5 .00105 .08899 .25001 .0014 .0005 .0079 0 0 -.0001
	O6 .02171 .24935 .24992 .0018 .0003 .0049 0 -.0001 .0001
	O7 .52643 .09942 .25020 .0015 .0004 .0043 .0001 .0002 .0001
	Si1 .13392 .16611 .25007 .965 .001 .0003 .0031 0 .0001 0
	Al1 .13392 .16611 .25007 .035 .001 .0003 .0031 0 .0001 0
	Fe1 .39051 0 .24982 .64 .0054 .0004 .0136 0 0 0
	Zn1 .39051 0 .24982 .015 .0054 .0004 .0136 0 0 0
	Al2 .39051 0 .24982 .05 .0054 .0004 .0136 0 0 0
	Mg1 .39051 0 .24982 .235 .0054 .0004 .0136 0 0 0
	Al3 .5 .17517 0 .93 .0018 .0004 .0033 0 0 0
	Fe3 .5 .17517 0 .02 .0018 .0004 .0033 0 0 0
	Mg2 .5 .17517 0 .05 .0018 .0004 .0033 0 0 0
	Al4 .5 .17519 .5 .93 .0017 .0004 .0032 0 .0002 0
	Fe4 .5 .17519 .5 .02 .0017 .0004 .0032 0 .0002 0
	Mg3 .5 .17519 .5 .05 .0017 .0004 .0032 0 .0002 0
	Al5 .26269 .41054 .25006 .975 .0016 .0004 .0053 0 .0001 0
	Fe5 .26269 .41054 .25006 .025 .0016 .0004 .0053 0 .0001 0
	Al6 0 0 0 .46 .0015 .0003 .0046 0 .0016 0
	Mg6 0 0 0 .05 .0015 .0003 .0046 0 .0016 0
	Al7 0 0 .5 .46 .0017 .0003 .0048 0 -.0012 0
	Mg7 0 0 .5 .05 .0017 .0003 .0048 0 -.0012 0
	Fe8 .5 0 0 .03 1.244
	Fe9 .5 0 .5 .03 1.487
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: EH-6/4
	Locality: Emery Hill, New York, USA
	_database_code_amcsd 0005304
	7.8831 16.6225 5.6602 90 90.012 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23598 0 .96551 .0041 .0004 .0073 0 .0014 0
	O2 .23590 0 .53413 .004 .0003 .0075 0 -.0013 0
	O3 .25479 .16108 .01552 .0018 .0004 .0032 -.0002 .0003 0
	O4 .25461 .16104 .48435 .0018 .0004 .0035 .0002 -.0003 0
	O5 .00106 .08904 .24973 .0015 .0005 .0083 0 0 -.0001
	O6 .02182 .24937 .25017 .0019 .0003 .0043 0 0 .0002
	O7 .52629 .09922 .25003 .0016 .0005 .004 0 .0001 0
	Si1 .13395 .16615 .24998 .96 .0011 .0003 .003 0 0 0
	Al1 .13395 .16615 .24998 .04 .0011 .0003 .003 0 0 0
	Fe1 .39051 0 .24982 .695 .0053 .0004 .0129 0 0 0
	Zn1 .39051 0 .24982 .015 .0053 .0004 .0129 0 0 0
	Mg1 .39051 0 .24982 .225 .0053 .0004 .0129 0 0 0
	Al3 .5 .17517 0 .935 .0016 .0004 .0026 0 0 0
	Fe3 .5 .17517 0 .01 .0016 .0004 .0026 0 0 0
	Mg2 .5 .17517 0 .055 .0016 .0004 .0026 0 0 0
	Al4 .5 .17519 .5 .935 .0016 .0003 .0026 0 .0001 0
	Fe4 .5 .17519 .5 .01 .0016 .0003 .0026 0 .0001 0
	Mg3 .5 .17519 .5 .055 .0016 .0003 .0026 0 .0001 0
	Al5 .26269 .41054 .25006 .97 .0014 .0004 .0047 0 0 0
	Mg5 .26269 .41054 .25006 .02 .0014 .0004 .0047 0 0 0
	Fe5 .26269 .41054 .25006 .01 .0014 .0004 .0047 0 0 0
	Al6 0 0 0 .475 .0016 .0003 .0052 0 .0014 0
	Mg6 0 0 0 .05 .0016 .0003 .0052 0 .0014 0
	Al7 0 0 .5 .475 .0017 .0003 .0052 0 -.0015 0
	Mg7 0 0 .5 .05 .0017 .0003 .0052 0 -.0015 0
	Fe8 .5 0 0 .03 1.211
	Fe9 .5 0 .5 .03 1.059
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: EH-6/2
	Locality: Emery Hill, New York, USA
	_database_code_amcsd 0005305
	7.8810 16.6250 5.6610 90 90.056 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23553 0 .96472 .004 .0003 .0073 0 .0014 0
	O2 .23645 0 .53412 .004 .0003 .0075 0 -.0012 0
	O3 .25515 .16110 .01553 .0016 .0004 .0038 -.0002 .0003 0
	O4 .25460 .16104 .48434 .0016 .0004 .0039 .0002 -.0001 -.0001
	O5 .00106 .08909 .24833 .0016 .0005 .0083 0 .0001 -.0001
	O6 .02201 .24932 .24952 .0019 .0003 .0044 0 .0001 .0001
	O7 .52647 .09941 .24981 .0015 .0004 .0044 .0001 .0001 -.0001
	Si1 .13399 .16612 .24945 .965 .001 .0002 .0032 0 0 0
	Al1 .13399 .16612 .24946 .035 .001 .0002 .0032 0 0 0
	Fe1 .39042 0 .24901 .645 .0053 .0004 .0135 0 -.0001 0
	Al2 .39042 0 .24901 .02 .0053 .0004 .0135 0 -.0001 0
	Zn1 .39042 0 .24901 .015 .0053 .0004 .0135 0 -.0001 0
	Mg1 .39042 0 .24901 .24 .0053 .0004 .0135 0 -.0001 0
	Al3 .5 .17518 0 .935 .0017 .0003 .0031 0 0 0
	Fe3 .5 .17518 0 .015 .0017 .0003 .0031 0 0 0
	Mg2 .5 .17518 0 .05 .0017 .0003 .0031 0 0 0
	Al4 .5 .17523 .5 .935 .0017 .0004 .0032 0 .0001 0
	Fe4 .5 .17523 .5 .015 .0017 .0004 .0032 0 .0001 0
	Mg3 .5 .17523 .5 .05 .0017 .0004 .0032 0 .0001 0
	Al5 .26259 .41050 .25065 .965 .0014 .0004 .0053 0 .0001 0
	Mg5 .26259 .41050 .25065 .015 .0014 .0004 .0053 0 .0001 0
	Fe5 .26259 .41050 .25065 .02 .0014 .0004 .0053 0 .0001 0
	Al6 0 0 0 .495 .0016 .0003 .0057 0 .0016 0
	Mg6 0 0 0 .055 .0016 .0003 .0057 0 .0016 0
	Al7 0 0 .5 .425 .0018 .0003 .0059 0 -.0015 0
	Mg7 0 0 .5 .045 .0018 .0003 .0059 0 -.0015 0
	Fe8 .5 0 0 .03 .955
	Fe9 .5 0 .5 .03 1.179
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 3-3/1
	Locality: West Sidney, Maine, USA
	_database_code_amcsd 0005306
	7.8744 16.6253 5.6625 90 90.014 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23469 0 .96491 .0036 .0004 .0069 0 .0012 0
	O2 .23498 0 .53482 .0039 .0004 .0072 0 -.0011 0
	O3 .25508 .16121 .01526 .0016 .0004 .0037 -.0002 0 -.0001
	O4 .25501 .16121 .48439 .0016 .0004 .0037 .0002 -.0001 -.0001
	O5 .00128 .08881 .24949 .0014 .0005 .0088 0 -.0001 -.0001
	O6 .02144 .24929 .24993 .0019 .0003 .0037 0 0 .0001
	O7 .52681 .10019 .24997 .0014 .0004 .0038 0 -.0001 0
	Si1 .13411 .16606 .24981 .96 .0011 .0003 .003 0 0 0
	Al1 .13411 .16606 .24981 .04 .0011 .0003 .003 0 0 0
	Fe1 .39110 0 .24963 .8 .0063 .0004 .0134 0 0 0
	Al2 .39110 0 .24963 .02 .0063 .0004 .0134 0 0 0
	Li1 .39110 0 .24963 .02 .0063 .0004 .0134 0 0 0
	Mg1 .39110 0 .24963 .12 .0063 .0004 .0134 0 0 0
	Al3 .5 .17529 0 .96 .0016 .0004 .0029 0 0 0
	Fe3 .5 .17529 0 .015 .0016 .0004 .0029 0 0 0
	Mg3 .5 .17529 0 .025 .0016 .0004 .0029 0 0 0
	Al4 .5 .17527 .5 .96 .0016 .0004 .0029 0 0 0
	Fe4 .5 .17527 .5 .015 .0016 .0004 .0029 0 0 0
	Mg4 .5 .17527 .5 .025 .0016 .0004 .0029 0 0 0
	Al5 .26276 .41056 .25023 .975 .0014 .0004 .0053 0 .0001 0
	Mg5 .26276 .41056 .25023 .01 .0014 .0004 .0053 0 .0001 0
	Fe5 .26276 .41056 .25023 .015 .0014 .0004 .0053 0 .0001 0
	Al6 0 0 0 .515 .0015 .0004 .0044 0 .0015 0
	Mg6 0 0 0 .025 .0015 .0004 .0044 0 .0015 0
	Al7 0 0 .5 .48 .0015 .0003 .0043 0 -.0013 0
	Mg7 0 0 .5 .02 .0015 .0003 .0043 0 -.0013 0
	Fe8 .5 0 0 .025 .964
	Fe9 .5 0 .5 .02 1.21
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 3-3/2
	Locality: West Sidney, Maine, USA
	_database_code_amcsd 0005307
	7.8727 16.62669 5.6626 90 90.042 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23446 0 .96436 .0037 .0003 .0073 0 .0012 0
	O2 .23526 0 .53464 .0035 .0003 .0068 0 -.0012 0
	O3 .25525 .16125 .01532 .0017 .0004 .0035 -.0002 .0001 0
	O4 .25496 .16127 .48431 .0017 .0004 .0037 .0002 -.0002 0
	O5 .00138 .08884 .24870 .0014 .0004 .0086 -.0001 -.0002 -.0001
	O6 .02132 .24922 .24989 .0019 .0003 .0037 0 -.0001 .0001
	O7 .52673 .10026 .24989 .0016 .0004 .0034 0 0 0
	Si1 .13406 .16605 .24960 .955 .0013 .0002 .0026 0 -.0001 0
	Al1 .13406 .16605 .24960 .045 .0013 .0002 .0026 0 -.0001 0
	Fe1 .39135 0 .24937 .8 .0063 .0004 .013 0 -.0001 0
	Zn1 .39135 0 .24937 .01 .0063 .0004 .013 0 -.0001 0
	Li1 .39135 0 .24937 .04 .0063 .0004 .013 0 -.0001 0
	Mg1 .39135 0 .24937 .1 .0063 .0004 .013 0 -.0001 0
	Al3 .5 .17526 0 .97 .0017 .0003 .0027 0 0 0
	Fe3 .5 .17526 0 .01 .0017 .0003 .0027 0 0 0
	Mg2 .5 .17526 0 .02 .0017 .0003 .0027 0 0 0
	Al4 .5 .17525 .5 .97 .0017 .0003 .0026 0 0 0
	Fe4 .5 .17525 .5 .01 .0017 .0003 .0026 0 0 0
	Mg3 .5 .17525 .5 .02 .0017 .0003 .0026 0 0 0
	Al5 .26285 .41052 .25047 .98 .0015 .0004 .0044 0 0 0
	Mg5 .26285 .41052 .25047 .005 .0015 .0004 .0044 0 0 0
	Fe5 .26285 .41052 .25047 .015 .0015 .0004 .0044 0 0 0
	Al6 0 0 0 .535 .0015 .0003 .0045 0 .0013 0
	Mg6 0 0 0 .025 .0015 .0003 .0045 0 .0013 0
	Al7 0 0 .5 .47 .0014 .0003 .004 0 -.0016 0
	Mg7 0 0 .5 .02 .0014 .0003 .004 0 -.0016 0
	Fe8 .5 0 0 .025 .964
	Fe9 .5 0 .5 .02 1.21
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 106038/1
	Locality: Franklin, North Carolina, USA
	_database_code_amcsd 0005308
	7.8782 16.6056 5.6568 90 90.084 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23406 0 .96422 .0034 .0003 .0068 0 .0013 0
	O2 .23537 0 .53376 .0036 .0003 .0069 0 -.0006 0
	O3 .25530 .16132 .01504 .0015 .0004 .0035 -.0002 .0004 -.0001
	O4 .25487 .16117 .48452 .0017 .0004 .0035 .0002 0 0
	O5 .00133 .08878 .24796 .0014 .0005 .0083 0 -.0002 -.0001
	O6 .02159 .24947 .24985 .0019 .0003 .0037 0 .0002 .0001
	O7 .52663 .09935 .24951 .0013 .0004 .0039 0 .0003 -.0001
	Si1 .13422 .16622 .24935 .935 .001 .0003 .0031 0 .0003 0
	Al1 .13422 .16622 .24935 .065 .001 .0003 .0031 0 .0003 0
	Fe1 .38970 0 .24871 .57 .0049 .0004 .013 0 .0002 0
	Zn1 .38970 0 .24871 .16 .0049 .0004 .013 0 .0002 0
	Al2 .38970 0 .24871 .04 .0049 .0004 .013 0 .0002 0
	Mg1 .38970 0 .24871 .16 .0049 .0004 .013 0 .0002 0
	Al3 .5 .17493 0 .965 .0013 .0003 .0025 0 .0002 0
	Mg2 .5 .17493 0 .035 .0013 .0003 .0025 0 .0002 0
	Al4 .5 .17494 .5 .965 .0014 .0003 .0028 0 .0004 0
	Mg3 .5 .17494 .5 .035 .0014 .0003 .0028 0 .0004 0
	Al5 .26270 .41044 .25072 .97 .0013 .0004 .0049 0 .0003 0
	Mg5 .26270 .41044 .25072 .01 .0013 .0004 .0049 0 .0003 0
	Fe5 .26270 .41044 .25072 .02 .0013 .0004 .0049 0 .0003 0
	Al6 0 0 0 .52 .0014 .0003 .0048 0 .0017 0
	Mg6 0 0 0 .04 .0014 .0003 .0048 0 .0017 0
	Al7 0 0 .5 .415 .0013 .0003 .0043 0 -.0011 0
	Mg7 0 0 .5 .03 .0013 .0003 .0043 0 -.0011 0
	Fe8 .5 0 0 .035 1.065
	Fe9 .5 0 .5 .03 1.194
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 106038/3
	Locality: Franklin, North Carolina, USA
	_database_code_amcsd 0005309
	7.8772 16.6060 5.6568 90 90.087 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23422 0 .96447 .0035 .0003 .0068 0 .0011 0
	O2 .23509 0 .53408 .0035 .0003 .0067 0 -.0011 0
	O3 .25539 .16130 .01511 .0016 .0004 .0034 -.0001 .0002 0
	O4 .25491 .16123 .48467 .0017 .0004 .0035 .0002 -.0002 0
	O5 .00133 .08880 .24831 .0014 .0005 .0085 0 -.0001 -.0001
	O6 .02126 .24947 .24981 .0019 .0003 .004 0 0 .0002
	O7 .52662 .09941 .24975 .0014 .0004 .0038 0 -.0001 0
	Si1 .13416 .16622 .24953 .93 .0011 .0003 .003 0 0 0
	Al1 .13416 .16622 .24953 .07 .0011 .0003 .003 0 0 0
	Fe1 .38986 0 .24898 .605 .0051 .0004 .0132 0 -.0001 0
	Zn1 .38986 0 .24898 .162 .0051 .0004 .0132 0 -.0001 0
	Al2 .38986 0 .24898 .01 .0051 .0004 .0132 0 -.0001 0
	Mg1 .38986 0 .24898 .158 .0051 .0004 .0132 0 -.0001 0
	Al3 .5 .17494 0 .967 .0014 .0003 .0027 0 0 0
	Mg3 .5 .17494 0 .033 .0014 .0003 .0027 0 0 0
	Al4 .5 .17492 .5 .967 .0014 .0003 .0026 0 0 0
	Mg4 .5 .17492 .5 .033 .0014 .0003 .0026 0 0 0
	Al5 .26273 .41037 .25056 .985 .0014 .0004 .0046 0 0 0
	Mg5 .26273 .41037 .25056 .008 .0014 .0004 .0046 0 0 0
	Fe5 .26273 .41037 .25056 .007 .0014 .0004 .0046 0 0 0
	Al6 0 0 0 .52 .0014 .0003 .0044 0 .0014 0
	Mg6 0 0 0 .035 .0014 .0003 .0044 0 .0014 0
	Al7 0 0 .5 .43 .0013 .0003 .0041 0 -.0015 0
	Mg7 0 0 .5 .03 .0013 .0003 .0041 0 -.0015 0
	Fe8 .5 0 0 .04 1.042
	Fe9 .5 0 .5 .03 .872
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	Staurolite
	Hawthorne F C, Ungaretti L, Oberti R, Caucia F, Callegari A
	The Canadian Mineralogist 31 (1993) 551-582
	The crystal chemistry of staurolite. I. Crystal structure and site populations
	Sample Code: 117189/6
	Locality: Stratford, North Carolina, USA
	_database_code_amcsd 0005310
	7.8685 16.6103 5.6584 90 90.026 90 C2/m
	atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	O1 .23422 0 .96447 .0035 .0003 .0068 0 .0011 0
	O2 .23509 0 .53408 .0035 .0003 .0067 0 -.0011 0
	O3 .25539 .16130 .01511 .0016 .0004 .0034 -.0001 .0002 0
	O4 .25491 .16123 .48467 .0017 .0004 .0035 .0002 -.0002 0
	O5 .00133 .08880 .24831 .0014 .0005 .0085 0 -.0001 -.0001
	O6 .02126 .24947 .24981 .0019 .0003 .004 0 0 .0002
	O7 .52662 .09941 .24975 .0014 .0004 .0038 0 -.0001 0
	Si1 .13416 .16622 .24953 .93 .0011 .0003 .003 0 0 0
	Al1 .13416 .16622 .24953 .07 .0011 .0003 .003 0 0 0
	Fe1 .38986 0 .24898 .605 .0051 .0004 .0132 0 -.0001 0
	Zn1 .38986 0 .24898 .162 .0051 .0004 .0132 0 -.0001 0
	Al2 .38986 0 .24898 .01 .0051 .0004 .0132 0 -.0001 0
	Mg1 .38986 0 .24898 .158 .0051 .0004 .0132 0 -.0001 0
	Al3 .5 .17494 0 .967 .0014 .0003 .0027 0 0 0
	Mg3 .5 .17494 0 .033 .0014 .0003 .0027 0 0 0
	Al4 .5 .17492 .5 .967 .0014 .0003 .0026 0 0 0
	Mg4 .5 .17492 .5 .033 .0014 .0003 .0026 0 0 0
	Al5 .26273 .41037 .25056 .985 .0014 .0004 .0046 0 0 0
	Mg5 .26273 .41037 .25056 .008 .0014 .0004 .0046 0 0 0
	Fe5 .26273 .41037 .25056 .007 .0014 .0004 .0046 0 0 0
	Al6 0 0 0 .52 .0014 .0003 .0044 0 .0014 0
	Mg6 0 0 0 .035 .0014 .0003 .0044 0 .0014 0
	Al7 0 0 .5 .43 .0013 .0003 .0041 0 -.0015 0
	Mg7 0 0 .5 .03 .0013 .0003 .0041 0 -.0015 0
	Fe8 .5 0 0 .04 1.042
	Fe9 .5 0 .5 .03 .872
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