Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 25 C
Locality: Langban, Sweden
_database_code_amcsd 0008722
9.63005 18.3425 5.34374 90 102.1748 90 C2/m
atom x y z occ Biso
MnM1 0 .08838 .5 .156 .20
FeM1 0 .08838 .5 .698 .20
MgM1 0 .08838 .5 .146 .20
MnM2 0 .1790 0 .180 .32
FeM2 0 .1790 0 .458 .32
MgM2 0 .1790 0 .362 .32
MnM3 0 0 0 .059 1.06
FeM3 0 0 0 .707 1.06
MgM3 0 0 0 .234 1.06
MnM4 0 .2498 .5 .585 2.8
CaM4 0 .2498 .5 .050 2.8
FeM4 0 .2498 .5 .365 2.8
SiT1 .2807 .0845 .2688 .953 .63
FeT1 .2807 .0845 .2688 .047 .63
SiT2 .3028 .16668 .7845 .46
H1 .2126 0 .723 6.4
O1 .1129 .08886 .2056 .58
O2 .1228 .17314 .7128 .48
O3 .1107 0 .7141 .05
O4 .3732 .24205 .7667 .78
O5 .3487 .12917 .0579 .68
O6 .3459 .12103 .5529 .78
O7 .3379 0 .2729 .90
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 100 C
Locality: Langban, Sweden
_database_code_amcsd 0008723
9.63541 18.3403 5.34220 90 102.1312 90 C2/m
atom x y z occ Biso
MnM1 0 .0884 .5 .157 .30
FeM1 0 .0884 .5 .687 .30
MgM1 0 .0884 .5 .156 .30
MnM2 0 .1791 0 .180 .34
FeM2 0 .1791 0 .458 .34
MgM2 0 .1791 0 .362 .34
MnM3 0 0 0 .057 1.36
FeM3 0 0 0 .728 1.36
MgM3 0 0 0 .215 1.36
MnM4 0 .2500 .5 .584 2.6
CaM4 0 .2500 .5 .050 2.6
FeM4 0 .2500 .5 .366 2.6
SiT1 .2809 .0846 .2685 .953 .71
FeT1 .2809 .0846 .2685 .047 .71
SiT2 .3026 .1665 .7851 .53
H1 .2141 0 .728 7.2
O1 .1129 .0890 .2057 .76
O2 .1228 .1733 .7134 .61
O3 .1117 0 .7145 .25
O4 .3730 .2419 .7670 .90
O5 .3490 .12877 .0575 .91
O6 .3451 .1211 .5527 .94
O7 .3362 0 .2720 1.10
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 200 C
Locality: Langban, Sweden
_database_code_amcsd 0008724
9.64716 18.3470 5.34266 90 102.0842 90 C2/m
atom x y z occ Biso
MnM1 0 .0883 .5 .150 .52
FeM1 0 .0883 .5 .683 .52
MgM1 0 .0883 .5 .167 .52
MnM2 0 .1794 0 .190 .38
FeM2 0 .1794 0 .442 .38
MgM2 0 .1794 0 .368 .38
MnM3 0 0 0 .060 1.69
FeM3 0 0 0 .760 1.69
MgM3 0 0 0 .180 1.69
MnM4 0 .2503 .5 .580 3.2
CaM4 0 .2503 .5 .050 3.2
FeM4 0 .2503 .5 .370 3.2
SiT1 .2813 .0845 .2689 .953 .76
FeT1 .2813 .0845 .2689 .047 .76
SiT2 .3018 .1665 .7846 .69
H1 .2080 0 .718 8.5
O1 .1137 .0887 .2066 .94
O2 .1224 .1736 .7117 .77
O3 .1107 0 .7148 .44
O4 .3728 .2416 .7670 1.09
O5 .3484 .1285 .0564 1.14
O6 .3452 .1212 .5531 1.17
O7 .3361 0 .2711 1.17
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 300 C
Locality: Langban, Sweden
_database_code_amcsd 0008725
9.65866 18.3543 5.34388 90 102.0409 90 C2/m
atom x y z occ Biso
MnM1 0 .0883 .5 .151 .77
FeM1 0 .0883 .5 .691 .77
MgM1 0 .0883 .5 .158 .77
MnM2 0 .1793 0 .198 .35
FeM2 0 .1793 0 .422 .35
MgM2 0 .1793 0 .380 .35
MnM3 0 0 0 .066 2.10
FeM3 0 0 0 .761 2.10
MgM3 0 0 0 .173 2.10
MnM4 0 .2505 .5 .569 3.2
CaM4 0 .2505 .5 .050 3.2
FeM4 0 .2505 .5 .381 3.2
SiT1 .2817 .0841 .2676 .953 .84
FeT1 .2817 .0841 .2676 .047 .84
SiT2 .3017 .1664 .7855 .85
H1 .2055 0 .711 9.3
O1 .1136 .0889 .2075 1.07
O2 .1234 .1737 .7119 1.06
O3 .1121 0 .7151 .66
O4 .3742 .2411 .7674 1.30
O5 .3483 .1278 .0558 1.35
O6 .3453 .1210 .5531 1.37
O7 .3357 0 .2712 1.33
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 350 C
Locality: Langban, Sweden
_database_code_amcsd 0008726
9.66448 18.3592 5.34435 90 102.0158 90 C2/m
atom x y z occ Biso
MnM1 0 .0885 .5 .144 .83
FeM1 0 .0885 .5 .675 .83
MgM1 0 .0885 .5 .181 .83
MnM2 0 .1796 0 .205 .42
FeM2 0 .1796 0 .415 .42
MgM2 0 .1796 0 .380 .42
MnM3 0 0 0 .066 2.20
FeM3 0 0 0 .807 2.20
MgM3 0 0 0 .127 2.20
MnM4 0 .2532 .5 .568 3.3
CaM4 0 .2532 .5 .050 3.3
FeM4 0 .2532 .5 .382 3.3
SiT1 .2823 .0845 .2676 .953 .95
FeT1 .2823 .0845 .2676 .047 .95
SiT2 .3012 .1659 .7843 .88
H1 .2031 0 .705 10.1
O1 .1134 .0888 .2082 1.18
O2 .1246 .1736 .7115 1.18
O3 .1129 0 .7149 .77
O4 .3751 .2409 .7674 1.39
O5 .3472 .1279 .0553 1.38
O6 .3462 .1212 .5535 1.51
O7 .3352 0 .2709 1.52
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 400 C
Locality: Langban, Sweden
_database_code_amcsd 0008727
9.67027 18.3656 5.34465 90 101.9899 90 C2/m
atom x y z occ Biso
MnM1 0 .0886 .5 .155 1.00
FeM1 0 .0886 .5 .682 1.00
MgM1 0 .0886 .5 .163 1.00
MnM2 0 .1798 0 .214 .37
FeM2 0 .1798 0 .412 .37
MgM2 0 .1798 0 .374 .37
MnM3 0 0 0 .076 2.58
FeM3 0 0 0 .750 2.58
MgM3 0 0 0 .174 2.58
MnM4 0 .2539 .5 .543 4.1
CaM4 0 .2539 .5 .050 4.1
FeM4 0 .2539 .5 .407 4.1
SiT1 .2817 .0841 .2667 .953 .98
FeT1 .2817 .0841 .2667 .047 .98
SiT2 .3010 .1659 .7857 .97
H1 .2047 0 .707 11.5
O1 .1140 .0887 .2080 1.31
O2 .1239 .1737 .7119 1.24
O3 .1122 0 .7135 .97
O4 .3745 .2408 .7685 1.48
O5 .3471 .1277 .0553 1.66
O6 .3466 .1212 .5531 1.62
O7 .3343 0 .2706 1.50
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 450 C
Locality: Langban, Sweden
_database_code_amcsd 0008728
9.67514 18.3750 5.34480 90 101.9463 90 C2/m
atom x y z occ Biso
MnM1 0 .0881 .5 .175 1.10
FeM1 0 .0881 .5 .658 1.10
MgM1 0 .0881 .5 .167 1.10
MnM2 0 .1798 0 .220 .47
FeM2 0 .1798 0 .401 .47
MgM2 0 .1798 0 .379 .47
MnM3 0 0 0 .107 2.60
FeM3 0 0 0 .735 2.60
MgM3 0 0 0 .158 2.60
MnM4 0 .2562 .5 .502 3.9
CaM4 0 .2562 .5 .050 3.9
FeM4 0 .2562 .5 .448 3.9
SiT1 .2822 .0842 .2669 .953 1.11
FeT1 .2822 .0842 .2669 .047 1.11
SiT2 .3010 .1658 .7857 1.04
H1 .1984 0 .701 11.1
O1 .1124 .0885 .2075 1.29
O2 .1247 .1738 .7117 1.44
O3 .1147 0 .7149 1.05
O4 .3762 .2403 .7675 1.76
O5 .3466 .1274 .0550 1.70
O6 .3469 .1207 .5530 1.79
O7 .3353 0 .2702 1.61
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 500 C
Locality: Langban, Sweden
_database_code_amcsd 0008729
9.68020 18.3852 5.34547 90 101.9161 90 C2/m
atom x y z occ Biso
MnM1 0 .0880 .5 .198 1.30
FeM1 0 .0880 .5 .651 1.30
MgM1 0 .0880 .5 .151 1.30
MnM2 0 .1793 0 .225 .47
FeM2 0 .1793 0 .397 .47
MgM2 0 .1793 0 .378 .47
MnM3 0 0 0 .114 2.75
FeM3 0 0 0 .692 2.75
MgM3 0 0 0 .194 2.75
MnM4 0 .2570 .5 .469 4.6
CaM4 0 .2570 .5 .050 4.6
FeM4 0 .2570 .5 .481 4.6
SiT1 .2813 .0841 .2669 .953 1.14
FeT1 .2813 .0841 .2669 .047 1.14
SiT2 .3010 .1659 .7849 1.04
H1 .1988 0 .706 11.8
O1 .1126 .0883 .2090 1.49
O2 .1241 .1737 .7099 1.44
O3 .1148 0 .7146 1.37
O4 .3762 .2404 .7670 1.80
O5 .3465 .1272 .0543 1.84
O6 .3471 .1208 .5529 1.79
O7 .3345 0 .2691 1.71
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 550 C
Locality: Langban, Sweden
_database_code_amcsd 0008730
9.68373 18.3884 5.34604 90 101.8916 90 C2/m
atom x y z occ Biso
MnM1 0 .0880 .5 .195 1.56
FeM1 0 .0880 .5 .652 1.56
MgM1 0 .0880 .5 .153 1.56
MnM2 0 .1794 0 .236 .60
FeM2 0 .1794 0 .387 .60
MgM2 0 .1794 0 .377 .60
MnM3 0 0 0 .115 3.07
FeM3 0 0 0 .695 3.07
MgM3 0 0 0 .190 3.07
MnM4 0 .2568 .5 .462 5.0
CaM4 0 .2568 .5 .050 5.0
FeM4 0 .2568 .5 .488 5.0
SiT1 .2821 .0839 .2658 .953 1.35
FeT1 .2821 .0839 .2658 .047 1.35
SiT2 .3001 .1663 .7852 1.16
H1 .1934 0 .695 13.1
O1 .1123 .0885 .2081 1.60
O2 .1250 .1740 .7108 1.65
O3 .1138 0 .7126 1.57
O4 .3769 .2407 .7672 1.93
O5 .3465 .1272 .0543 1.97
O6 .3473 .1210 .5523 2.12
O7 .3340 0 .2700 1.94
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798 II, T = 550 C
Locality: Langban, Sweden
_database_code_amcsd 0008731
9.68170 18.3862 5.34561 90 101.8999 90 C2/m
atom x y z occ Biso
MnM1 0 .0873 .5 .195 1.57
FeM1 0 .0873 .5 .654 1.57
MgM1 0 .0873 .5 .151 1.57
MnM2 0 .1792 0 .230 .57
FeM2 0 .1792 0 .389 .57
MgM2 0 .1792 0 .381 .57
MnM3 0 0 0 .110 3.04
FeM3 0 0 0 .703 3.04
MgM3 0 0 0 .187 3.04
MnM4 0 .2568 .5 .470 4.8
CaM4 0 .2568 .5 .050 4.8
FeM4 0 .2568 .5 .480 4.8
SiT1 .2819 .0842 .2666 .953 1.26
FeT1 .2819 .0842 .2666 .047 1.26
SiT2 .2999 .1660 .7842 1.13
H1 .1960 0 .698 12.6
O1 .1126 .0880 .2083 1.52
O2 .1242 .1738 .7107 1.67
O3 .1141 0 .7123 1.60
O4 .3766 .2405 .7652 1.86
O5 .3465 .1275 .0547 1.99
O6 .3476 .1207 .5527 2.08
O7 .3355 0 .2720 1.86
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798, T = 600 C
Locality: Langban, Sweden
_database_code_amcsd 0008732
9.68509 18.3886 5.34607 90 101.8720 90 C2/m
atom x y z occ Biso
MnM1 0 .0873 .5 .199 1.71
FeM1 0 .0873 .5 .658 1.71
MgM1 0 .0873 .5 .116 1.71
MnM2 0 .1796 0 .248 .66
FeM2 0 .1796 0 .362 .66
MgM2 0 .1796 0 .390 .66
MnM3 0 0 0 .129 3.10
FeM3 0 0 0 .684 3.10
MgM3 0 0 0 .187 3.10
MnM4 0 .2563 .5 .437 5.2
CaM4 0 .2563 .5 .050 5.2
FeM4 0 .2563 .5 .513 5.2
SiT1 .2820 .0841 .2666 .953 1.53
FeT1 .2820 .0841 .2666 .047 1.53
SiT2 .2999 .1660 .7839 1.16
H1 .1938 0 .698 13.3
O1 .1123 .0882 .2097 1.70
O2 .1242 .1737 .7099 1.69
O3 .1139 0 .7120 1.82
O4 .3763 .2403 .7663 2.03
O5 .3462 .1271 .0543 2.03
O6 .3480 .1210 .5521 2.28
O7 .3344 0 .2709 2.04
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Manganogrunerite
Reece J J, Redfern S A T, Welch M D, Henderson C M B, McCammon C A
Physics and Chemistry of Minerals 29 (2002) 562-570
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
Sample: BM40798 II, T = 600 C
Locality: Langban, Sweden
_database_code_amcsd 0008733
9.68245 18.3848 5.34572 90 101.8796 90 C2/m
atom x y z occ Biso
MnM1 0 .0870 .5 .196 1.77
FeM1 0 .0870 .5 .652 1.77
MgM1 0 .0870 .5 .152 1.77
MnM2 0 .1793 0 .243 .58
FeM2 0 .1793 0 .360 .58
MgM2 0 .1793 0 .397 .58
MnM3 0 0 0 .119 3.05
FeM3 0 0 0 .730 3.05
MgM3 0 0 0 .151 3.05
MnM4 0 .2562 .5 .452 5.8
CaM4 0 .2562 .5 .050 5.8
FeM4 0 .2562 .5 .498 5.8
SiT1 .2830 .0838 .2672 .953 1.39
FeT1 .2830 .0838 .2672 .047 1.39
SiT2 .2989 .1663 .7834 1.31
H1 .1936 0 .702 14.5
O1 .1131 .0881 .2094 1.79
O2 .1238 .1737 .7106 1.70
O3 .1136 0 .7110 1.84
O4 .3769 .2407 .7661 1.98
O5 .3466 .1272 .0538 2.04
O6 .3473 .1210 .5521 2.37
O7 .3350 0 .2712 1.96
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