The query is now

select distinct Amc_Table.fileno from Amc_Table LEFT JOIN Amc_Author ON Amc_Table.fileno=Amc_Author.fileno LEFT JOIN atomic_data ON Amc_Table.fileno = atomic_data.fileno WHERE ( Author_name LIKE 'Wei%')

the size of the result array is 157

the size of the diff result array is 0

The total results from the merged set is 157

The total number of rows in result set is 157

The paginate value is 1

entering paginate loop

The total number to display on this page is 100 157 matching records for this search.

the file_query is

Select fileno, contents, cifcontents, journalKey, Mineral from Amc_Table where fileno in ('00048.amc', '00212.amc', '00865.amc', '00866.amc', '00867.amc', '00868.amc', '00869.amc', '00870.amc', '00908.amc', '01264.amc', '01350.amc', '01663.amc', '01664.amc', '01665.amc', '01666.amc', '01686.amc', '01687.amc', '01688.amc', '01870.amc', '01871.amc', '01872.amc', '01873.amc', '02226.amc', '02227.amc', '02228.amc', '02229.amc', '02230.amc', '02231.amc', '02232.amc', '02233.amc', '02234.amc', '02235.amc', '02236.amc', '02237.amc', '02465.amc', '02466.amc', '02467.amc', '02468.amc', '02469.amc', '02470.amc', '02471.amc', '02472.amc', '02473.amc', '02474.amc', '02475.amc', '02476.amc', '03956.amc', '03957.amc', '03958.amc', '03959.amc', '03960.amc', '03961.amc', '03962.amc', '03963.amc', '04631.amc', '04930.amc', '04931.amc', '04932.amc', '04933.amc', '04934.amc', '04935.amc', '04936.amc', '04937.amc', '04938.amc', '06365.amc', '07601.amc', '07602.amc', '07752.amc', '07754.amc', '09992.amc', '10092.amc', '10093.amc', '10094.amc', '10095.amc', '10096.amc', '10097.amc', '10549.amc', '10550.amc', '10620.amc', '10771.amc', '10786.amc', '10787.amc', '11644.amc', '11645.amc', '11852.amc', '11950.amc', '12096.amc', '12099.amc', '12106.amc', '12111.amc', '12141.amc', '12146.amc', '12148.amc', '12167.amc', '12168.amc', '12185.amc', '12191.amc', '12198.amc', '12205.amc', '12226.amc') order by fileno

	Bridgmanite
	Horiuchi H, Ito E, Weidner D J
	American Mineralogist 72 (1987) 357-360
	Perovskite-type MgSiO3: Single-crystal X-ray diffraction study
	Locality: synthetic
	_database_code_amcsd 0001071
	4.7754 4.9292 6.8969 90 90 90 Pbnm
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mg .5141 .5560 .25 .00480 .00459 .00257 .00044 0 0
	Si .5 0 .5 .00296 .00298 .00100 -.00004 .00002 -.00009
	O1 .1028 .4660 .25 .00376 .00472 .00090 .00011 0 0
	O2 .1961 .2014 .5531 .00372 .00365 .00179 .00070 .00029 .00048
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Vermiculite
	Haase D J, Weiss E J, Steinfink H
	American Mineralogist 48 (1963) 261-270
	The crystal structure of a hexamethylene-diamine-vermiculite complex
	_database_code_amcsd 0000122
	5.33 9.18 17.12 90 97.0 90 C2
	atom x y z
	Mg1 0 0 0
	Mg2 0 .333 0
	Mg3 0 .667 0
	Si1 .3967 .9920 .1607
	Si2 .3967 .3330 .1607
	Ob .3579 .9920 .0624
	Ob .3579 .3480 .0624
	Ob .3579 .6617 .0624
	O1 .4322 .1775 .1775
	O2 .1482 .4040 .1960
	O3 .1482 .9290 .1960
	N1 .3200 .1600 .3300
	C1 .1500 .1875 .3925
	C2 .1300 .3475 .4035
	C3 -.0400 .3750 .4690
	C4 -.0600 .5350 .4800
	C5 -.2300 .5625 .5455
	C6 .75 .7225 .5565
	N2 -.4200 .75 .6190
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	Quartz
	Levien L, Prewitt C T, Weidner D J
	American Mineralogist 65 (1980) 920-930
	Structure and elastic properties of quartz at pressure
	P = 1 atm
	_database_code_amcsd 0000789
	4.916 4.916 5.4054 90 90 120 *P3_221
	0 0 .666666667
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .4697 0 0 .0093 .0078 .0049 .0039 -.00001 -.00002
	O .4135 .2669 .1191 .0190 .0144 .0083 .0106 -.00250 -.0035
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	Quartz
	Levien L, Prewitt C T, Weidner D J
	American Mineralogist 65 (1980) 920-930
	Structure and elastic properties of quartz at pressure
	P = 20.7 kbar
	_database_code_amcsd 0000790
	4.8362 4.8362 5.3439 90 90 120 *P3_221
	0 0 .666666667
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .4630 0 0 .0070 .0057 .0035 .0029 .0002 .0004
	O .4111 .2795 .1095 .0148 .0108 .0076 .0075 -.0034 -.0029
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	Quartz
	Levien L, Prewitt C T, Weidner D J
	American Mineralogist 65 (1980) 920-930
	Structure and elastic properties of quartz at pressure
	P = 37.6 kbar
	_database_code_amcsd 0000791
	4.7736 4.7736 5.301 90 90 120 *P3_221
	0 0 .666666667
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .4581 0 0 0.0079 0.0068 0.0035 0.0034 -0.0005 -0.0010
	O .4079 .2867 .1039 0.0155 0.0123 0.0069 0.0075 -0.0040 -0.0032
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	Quartz
	Levien L, Prewitt C T, Weidner D J
	American Mineralogist 65 (1980) 920-930
	Structure and elastic properties of quartz at pressure
	P = 48.6 kbar
	_database_code_amcsd 0000792
	4.739 4.739 5.279 90 90 120 *P3_221
	0 0 .666666667
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .4551 0 0 0.0087 0.0070 0.0039 0.0035 -0.0003 -0.0006
	O .4061 .2912 .1012 0.0150 0.0128 0.0065 0.0078 -0.0042 -0.0031
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	Quartz
	Levien L, Prewitt C T, Weidner D J
	American Mineralogist 65 (1980) 920-930
	Structure and elastic properties of quartz at pressure
	P = 55.8 kbar
	_database_code_amcsd 0000793
	4.722 4.722 5.267 90 90 120 *P3_221
	0 0 .666666667
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .4537 0 0 0.0082 0.0074 0.0036 0.0037 -0.0002 -0.0004
	O .4047 .2926 .0998 0.0153 0.0117 0.0062 0.0079 -0.0032 -0.0030
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	Quartz
	Levien L, Prewitt C T, Weidner D J
	American Mineralogist 65 (1980) 920-930
	Structure and elastic properties of quartz at pressure
	P = 61.4 kbar
	_database_code_amcsd 0000794
	4.702 4.702 5.256 90 90 120 *P3_221
	0 0 .666666667
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Si .4526 0 0 0.0084 0.0069 0.0039 0.0035 -0.0002 -0.0004
	O .4034 .2952 .0987 0.0148 0.0121 0.0064 0.0080 -0.0027 -0.0026
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	Kanonaite
	Weiss Z, Bailey S W, Rieder M
	American Mineralogist 66 (1981) 561-567
	Refinement of the crystal structure of kanonaite, (Mn,Al)(Al,Mn)O[SiO4]
	_database_code_amcsd 0000833
	7.959 8.047 5.616 90 90 90 Pnnm
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Mn1 0 0 .2429 .74 0.0033 0.0025 0.0055 0.0005 0 0
	Al1 0 0 .2429 .26 0.0033 0.0025 0.0055 0.0005 0 0
	Mn2 -.1252 .3630 0 .12 0.0036 0.0037 0.0084 -.0001 0 0
	Al2 -.1252 .3630 0 .88 0.0036 0.0037 0.0084 -.0001 0 0
	Si1 .2492 .2549 0 0.0025 0.0021 0.0055 0.0003 0 0
	O1 .0743 -.1369 0 0.0039 0.0029 0.0068 0.0001 0 0
	O2 .4243 .3626 0 0.0031 0.0038 0.0075 0.0001 0 0
	O3 .1042 .3989 0 0.0025 0.0024 0.0099 0.0001 0 0
	O4 .2430 .1413 .2383 0.0044 0.0035 0.0072 0.0001 -.0006 0.0006
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	MgSiO3
	Angel R J, Finger L W, Hazen R M, Kanzaki M, Weidner D J, Liebermann R C, Veblen D R
	American Mineralogist 74 (1989) 509-512
	Structure and twinning of single-crystal MgSiO3 garnet synthesized at 17 GPa and 1800 C
	Note: majoritic or majorite-like
	_database_code_amcsd 0001231
	11.501 11.501 11.480 90 90 90 *I4_1/a
	.5 .25 .125
	atom x y z occ Biso
	MgD1 .1253 .0112 .2587 1.33
	MgD2 0 .25 .6258 1.54
	MgOc1 0 0 .5 .8 .22
	SiOc1 0 0 .5 .2 .22
	MgOc2 0 0 0 .2 .22
	SiOc2 0 0 0 .8 .22
	SiT1 0 .25 .3750 1.03
	SiT2 0 .25 .8750 .37
	SiT3 .1249 .0065 .7544 .53
	O1 .0282 .0550 .6633 .88
	O2 .0380 -.0471 .8562 1.31
	O3 .2195 .1023 .8021 1.28
	O4 .2150 -.0894 .7000 .99
	O5 -.0588 .1617 .4680 .89
	O6 -.1040 .2080 .7851 1.01
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	K2Al2Si3O10*KCl
	Ghose S, Yang H, Weidner J R
	American Mineralogist 75 (1990) 947-950
	Crystal growth and structure of K2Al2Si3O10*KCl: A new anhydrous zeolite-type
	phase with the edingtonite framework
	_database_code_amcsd 0001317
	9.7553 9.7553 6.4877 90 90 90 P-42_1m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Al1 0 0 0 .20 0.0031 0.0021 0.0042 0 0 0
	Si1 0 0 0 .80 0.0031 0.0021 0.0042 0 0 0
	Al2 .1524 .1157 .6213 .45 0.0029 0.0030 0.0050 -.0005 -.0004 0.0002
	Si2 .1524 .1157 .6213 .55 0.0029 0.0030 0.0050 -.0005 -.0004 0.0002
	Cl .5 0 .0478 0.0148 0.0148 0.0156 0.0046 0 0
	K1 .5 0 .5450 0.0065 0.0065 0.0172 0.0024 0 0
	K2 .2598 .2402 .1226 0.0152 0.0152 0.0088 -.0106 0.0012 -.0012
	O1 .2985 .2015 .6234 0.0042 0.0042 0.0105 0.0006 -.0007 0.0007
	O2 .0445 .1900 .4524 0.0043 0.0054 0.0070 -.0001 -.0001 0.0004
	O3 .0818 .1123 .8589 0.0051 0.0045 0.0081 -.0012 0.0008 -.0001
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	Brucite
	Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B
	American Mineralogist 79 (1994) 193-196
	Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
	9.3 GPa
	P = 0.4 GPa
	_database_code_amcsd 0001637
	3.1382 3.1382 4.713 90 90 120 P-3m1
	atom x y z occ Uiso
	Mg 0 0 0 .005
	O 1/3 2/3 .214 .005
	D .367 .734 .412 .333 .017
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	Brucite
	Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B
	American Mineralogist 79 (1994) 193-196
	Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
	9.3 GPa
	P = 1.9 GPa
	_database_code_amcsd 0001638
	3.1167 3.1167 4.630 90 90 120 P-3m1
	atom x y z occ Uiso
	Mg 0 0 0 .007
	O 1/3 2/3 .219 .007
	D .373 .746 .417 .333 .013
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	Brucite
	Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B
	American Mineralogist 79 (1994) 193-196
	Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
	9.3 GPa
	P = 5.4 GPa
	_database_code_amcsd 0001639
	3.0728 3.0728 4.496 90 90 120 P-3m1
	atom x y z occ Uiso
	Mg 0 0 0 .010
	O 1/3 2/3 .229 .010
	D .389 .778 .435 .333 .012
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Brucite
	Parise J B, Leinenweber K, Weidner D J, Tan K, Von Dreele R B
	American Mineralogist 79 (1994) 193-196
	Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
	9.3 GPa
	P = 9.3 GPa
	_database_code_amcsd 0001640
	3.0365 3.0365 4.403 90 90 120 P-3m1
	atom x y z occ Uiso
	Mg 0 0 0 .010
	O 1/3 2/3 .232 .010
	D .402 .804 .449 .333 .010
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J,
	Kikegawa T, Chen J, Shimomura O
	American Mineralogist 79 (1994) 615-621
	High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
	diffraction study using monochromatic synchrotron X-radiation
	P = room pressure
	_database_code_amcsd 0001664
	5.3603 5.4884 7.666 90 90 90 Pbnm
	atom x y z Uiso
	Na .9851 .0455 .25 .042
	Mg 0 .5 0 .026
	F1 .088 .474 .25 .033
	F2 .7022 .2946 .0480 .032
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J,
	Kikegawa T, Chen J, Shimomura O
	American Mineralogist 79 (1994) 615-621
	High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
	diffraction study using monochromatic synchrotron X-radiation
	P = 4.9 GPa
	_database_code_amcsd 0001665
	5.2386 5.3796 7.5052 90 90 90 Pbnm
	atom x y z Uiso
	Na .9824 .0473 .25 .046
	Mg 0 .5 0 .034
	F1 .097 .469 .25 .040
	F2 .7006 .2970 .0498 .031
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J,
	Kikegawa T, Chen J, Shimomura O
	American Mineralogist 79 (1994) 615-621
	High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive
	diffraction study using monochromatic synchrotron X-radiation
	P = room pressure following decompression
	_database_code_amcsd 0001666
	5.3609 5.4828 7.667 90 90 90 Pbnm
	atom x y z Uiso
	Na .9860 .0422 .25 .041
	Mg 0 .5 0 .031
	F1 .0912 .4711 .25 .035
	F2 .7052 .2943 .0455 .027
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Liebenbergite
	Chen J, Li R, Parise J B, Weidner D J
	American Mineralogist 81 (1996) 1519-1522
	Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
	Sample: Room pressure, 23 C, (800 C quenched)
	_database_code_amcsd 0001846
	4.7362 10.1682 5.9401 90 90 90 Pbnm
	atom x y z occ Uiso
	Ni1 0 0 0 .742 .015
	Mg1 0 0 0 .258 .015
	Ni2 .9898 .2752 .25 .258 .015
	Mg2 .9898 .2752 .25 .742 .015
	Si .4256 .0932 .25 .017
	O1 .7719 .0916 .25 .009
	O2 .2208 .4447 .25 .009
	O3 .2768 .1640 .0319 .009
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Liebenbergite
	Chen J, Li R, Parise J B, Weidner D J
	American Mineralogist 81 (1996) 1519-1522
	Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
	Sample: 4 GPa and 800 C, 40 min
	_database_code_amcsd 0001847
	4.7325 10.1454 5.9313 90 90 90 Pbnm
	atom x y z occ Uiso
	Ni1 0 0 0 .754 .017
	Mg1 0 0 0 .246 .017
	Ni2 .9873 .2760 .25 .246 .017
	Mg2 .9873 .2760 .25 .754 .017
	Si .4268 .0940 .25 .011
	O1 .7719 .0884 .25 .007
	O2 .2254 .4469 .25 .007
	O3 .2814 .1613 .0346 .007
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	Liebenbergite
	Chen J, Li R, Parise J B, Weidner D J
	American Mineralogist 81 (1996) 1519-1522
	Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
	Sample: 4 GPa and 800 C, 63 min
	_database_code_amcsd 0001848
	4.7330 10.1452 5.9303 90 90 90 Pbnm
	atom x y z occ Uiso
	Ni1 0 0 0 .757 .017
	Mg1 0 0 0 .243 .017
	Ni2 .9879 .2757 .25 .243 .017
	Mg2 .9879 .2757 .25 .757 .017
	Si .4269 .0945 .25 .013
	O1 .7722 .0885 .25 .004
	O2 .2235 .4442 .25 .004
	O3 .2796 .1636 .0343 .004
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Liebenbergite
	Chen J, Li R, Parise J B, Weidner D J
	American Mineralogist 81 (1996) 1519-1522
	Pressure-induced ordering in (Ni,Mg)2SiO4 olivine
	Sample: 4 GPa and 800 C, 109 min
	_database_code_amcsd 0001849
	4.7322 10.1453 5.9309 90 90 90 Pbnm
	atom x y z occ Uiso
	Ni1 0 0 0 .762 .016
	Mg1 0 0 0 .238 .016
	Ni2 .9892 .2762 .25 .238 .016
	Mg2 .9892 .2762 .25 .762 .016
	Si .4260 .0939 .25 .017
	O1 .7687 .0890 .25 .010
	O2 .2259 .4450 .25 .010
	O3 .2804 .1626 .0326 .010
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = .001 kbar, crystal 1
	_database_code_amcsd 0002202
	5.486 9.506 10.818 90 99.67 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0221
	Fe1 0 0 .5 .0110
	Fe2 0 .3323 .5 .0099
	Si .0797 .1666 .2384 .76 .0111
	Fe .0797 .1666 .2384 .23 .0111
	Al .0797 .1666 .2384 .01 .0111
	O1 .0588 0 .1836 .029
	O2 .3117 .2496 .1824 .029
	O3 .1325 .1664 .3958 .0123
	O4 .1322 .5 .4018 .012
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = 39.4 kbar, crystal 1
	_database_code_amcsd 0002203
	5.444 9.439 10.185 90 100.2 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0165
	Fe1 0 0 .5 .010
	Fe2 0 .3327 .5 .0099
	Si .0753 .1666 .2252 .76 .0121
	Fe .0753 .1666 .2252 .23 .0121
	Al .0753 .1666 .2252 .01 .0121
	O1 .061 0 .173 .034
	O2 .306 .249 .169 .030
	O3 .131 .167 .394 .015
	O4 .131 .5 .392 .010
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, crystal 2
	_database_code_amcsd 0002204
	5.480 9.498 10.820 90 99.76 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0209
	Fe1 0 0 .5 .0088
	Fe2 0 .33192 .5 .0090
	Si .0796 .16662 .23820 .76 .0099
	Fe .0796 .16662 .23820 .23 .0099
	Al .0796 .16662 .23820 .01 .0099
	O1 .0610 0 .1838 .0272
	O2 .3119 .2501 .1844 .0287
	O3 .1326 .1662 .3962 .0118
	O4 .1325 .5 .4015 .0115
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 296 deg C, crystal 2
	_database_code_amcsd 0002205
	5.480 9.500 10.907 90 99.60 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0410
	Fe1 0 0 .5 .0195
	Fe2 0 .3319 .5 .0202
	Si .0793 .1662 .2393 .76 .0184
	Fe .0793 .1662 .2393 .23 .0184
	Al .0793 .1662 .2393 .01 .0184
	O1 .0615 0 .1849 .042
	O2 .3146 .2503 .1864 .041
	O3 .1325 .1667 .3965 .021
	O4 .1325 .5 .4008 .025
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 435 deg C, crystal 2
	_database_code_amcsd 0002206
	5.476 9.502 10.954 90 99.54 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0495
	Fe1 0 0 .5 .0251
	Fe2 0 .3326 .5 .0249
	Si .0793 .1667 .2398 .76 .0229
	Fe .0793 .1667 .2398 .23 .0229
	Al .0793 .1667 .2398 .01 .0229
	O1 .0633 0 .1870 .052
	O2 .3128 .2512 .1865 .047
	O3 .1303 .1672 .3961 .024
	O4 .1348 .5 .4016 .030
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	Tetra-ferri-annite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C after heating, crystal 2
	_database_code_amcsd 0002207
	5.452 9.448 10.786 90 99.77 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0243
	Fe1 0 0 .5 .0148
	Fe2 0 .3393 .5 .0151
	Si .0797 .1677 .2367 .76 .0142
	Fe .0797 .1677 .2367 .23 .0142
	Al .0797 .1677 .2367 .01 .0142
	O1 .0588 0 .1843 .032
	O2 .3130 .2483 .1812 .0324
	O3 .1337 .1719 .3961 .0161
	O4 .1373 .5 .4059 .0166
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = .001 kbar, crystal 1
	_database_code_amcsd 0002208
	5.486 9.506 10.818 90 99.67 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0221
	Fe1 0 0 .5 .0110
	Fe2 0 .3323 .5 .0099
	Si .0797 .1666 .2384 .76 .0111
	Fe .0797 .1666 .2384 .23 .0111
	Al .0797 .1666 .2384 .01 .0111
	O1 .0588 0 .1836 .029
	O2 .3117 .2496 .1824 .029
	O3 .1325 .1664 .3958 .0123
	O4 .1322 .5 .4018 .012
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, P = 39.4 kbar, crystal 1
	_database_code_amcsd 0002209
	5.444 9.439 10.185 90 100.2 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0165
	Fe1 0 0 .5 .010
	Fe2 0 .3327 .5 .0099
	Si .0753 .1666 .2252 .76 .0121
	Fe .0753 .1666 .2252 .23 .0121
	Al .0753 .1666 .2252 .01 .0121
	O1 .061 0 .173 .034
	O2 .306 .249 .169 .030
	O3 .131 .167 .394 .015
	O4 .131 .5 .392 .010
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C, crystal 2
	_database_code_amcsd 0002210
	5.480 9.498 10.820 90 99.76 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0209
	Fe1 0 0 .5 .0088
	Fe2 0 .33192 .5 .0090
	Si .0796 .16662 .23820 .76 .0099
	Fe .0796 .16662 .23820 .23 .0099
	Al .0796 .16662 .23820 .01 .0099
	O1 .0610 0 .1838 .0272
	O2 .3119 .2501 .1844 .0287
	O3 .1326 .1662 .3962 .0118
	O4 .1325 .5 .4015 .0115
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 296 deg C, crystal 2
	_database_code_amcsd 0002211
	5.480 9.500 10.907 90 99.60 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0410
	Fe1 0 0 .5 .0195
	Fe2 0 .3319 .5 .0202
	Si .0793 .1662 .2393 .76 .0184
	Fe .0793 .1662 .2393 .23 .0184
	Al .0793 .1662 .2393 .01 .0184
	O1 .0615 0 .1849 .042
	O2 .3146 .2503 .1864 .041
	O3 .1325 .1667 .3965 .021
	O4 .1325 .5 .4008 .025
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 435 deg C, crystal 2
	_database_code_amcsd 0002212
	5.476 9.502 10.954 90 99.54 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0495
	Fe1 0 0 .5 .0251
	Fe2 0 .3326 .5 .0249
	Si .0793 .1667 .2398 .76 .0229
	Fe .0793 .1667 .2398 .23 .0229
	Al .0793 .1667 .2398 .01 .0229
	O1 .0633 0 .1870 .052
	O2 .3128 .2512 .1865 .047
	O3 .1303 .1672 .3961 .024
	O4 .1348 .5 .4016 .030
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Tetraferriannite
	Comodi P, Zanazzi P F, Weiss Z, Rieder M, Drabek M
	American Mineralogist 84 (1999) 325-332
	"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
	potential nuclear waste disposal phase
	T = 23 deg C after heating, crystal 2
	_database_code_amcsd 0002213
	5.452 9.448 10.786 90 99.77 90 C2/m
	atom x y z occ Uiso
	Cs 0 .5 0 .89 .0243
	Fe1 0 0 .5 .0148
	Fe2 0 .3393 .5 .0151
	Si .0797 .1677 .2367 .76 .0142
	Fe .0797 .1677 .2367 .23 .0142
	Al .0797 .1677 .2367 .01 .0142
	O1 .0588 0 .1843 .032
	O2 .3130 .2483 .1812 .0324
	O3 .1337 .1719 .3961 .0161
	O4 .1373 .5 .4059 .0166
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 0.00 GPa, X = .00
	_database_code_amcsd 0002439
	5.6978 11.4620 8.2571 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9698
	Mg3 .25 .1269 .25
	Si 0 .1199 .6165
	O1 0 .25 .2182
	O2 0 .25 .7157
	O3 0 .9898 .2565
	O4 .2601 .1226 .9931
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	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 2.72 GPa, X = .00
	_database_code_amcsd 0002440
	5.6731 11.4114 8.2067 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9708
	Mg3 .25 .1274 .25
	Si 0 .1201 .6170
	O1 0 .25 .2197
	O2 0 .25 .7162
	O3 0 .9890 .2557
	O4 .2597 .1216 .9928
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 5.23 GPa, X = .00
	_database_code_amcsd 0002441
	5.6515 11.3688 8.1630 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9711
	Mg3 .25 .1273 .25
	Si 0 .1199 .6170
	O1 0 .25 .2204
	O2 0 .25 .7184
	O3 0 .9900 .2549
	O4 .2601 .1226 .9927
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 6.80 GPa, X = .00
	_database_code_amcsd 0002442
	5.6390 11.3432 8.1389 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9715
	Mg3 .25 .1273 .25
	Si 0 .1199 .6173
	O1 0 .25 .2203
	O2 0 .25 .7173
	O3 0 .9905 .2546
	O4 .2596 .1221 .9929
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 8.49 GPa, X = .00
	_database_code_amcsd 0002443
	5.6261 11.3158 8.1132 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9713
	Mg3 .25 .1275 .25
	Si 0 .1199 .6173
	O1 0 .25 .2208
	O2 0 .25 .7192
	O3 0 .9907 .2550
	O4 .2591 .1222 .9929
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 10.12 GPa, X = .00
	_database_code_amcsd 0002444
	5.6137 11.2918 8.0895 90 90 90 Imma
	atom x y z
	Mg1 0 0 0
	Mg2 0 .25 .9716
	Mg3 .25 .1270 .25
	Si 0 .1199 .6173
	O1 0 .25 .2208
	O2 0 .25 .7201
	O3 0 .9914 .2545
	O4 .2589 .1228 .9936
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = .00 GPa, X = .25
	_database_code_amcsd 0002445
	5.7194 11.5114 8.3021 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9706 .868
	Fe2 0 .25 .9706 .132
	Mg3 .25 .1255 .25 .710
	Fe3 .25 .1255 .25 .290
	Si 0 .1209 .6166
	O1 0 .25 .2174
	O2 0 .25 .7163
	O3 0 .9875 .2563
	O4 .2626 .1231 .9924
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 2.72 GPa, X = .25
	_database_code_amcsd 0002446
	5.6951 11.4628 8.2515 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9711 .868
	Fe2 0 .25 .9711 .132
	Mg3 .25 .1254 .25 .710
	Fe3 .25 .1254 .25 .290
	Si 0 .1209 .6170
	O1 0 .25 .2206
	O2 0 .25 .7179
	O3 0 .9888 .2565
	O4 .2633 .1232 .9918
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 5.23 GPa, X = .25
	_database_code_amcsd 0002447
	5.6737 11.4201 8.2082 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9709 .868
	Fe2 0 .25 .9709 .132
	Mg3 .25 .1256 .25 .710
	Fe3 .25 .1256 .25 .290
	Si 0 .1211 .6171
	O1 0 .25 .2207
	O2 0 .25 .7184
	O3 0 .9887 .2554
	O4 .2623 .1239 .9924
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 6.80 GPa, X = .25
	_database_code_amcsd 0002448
	5.6605 11.3940 8.1828 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9707 .868
	Fe2 0 .25 .9707 .132
	Mg3 .25 .1253 .25 .710
	Fe3 .25 .1253 .25 .290
	Si 0 .1208 .6172
	O1 0 .25 .2217
	O2 0 .25 .7187
	O3 0 .9887 .2556
	O4 .2624 .1238 .9925
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 8.49 GPa, X = .25
	_database_code_amcsd 0002449
	5.6485 11.3707 8.1594 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Fe1 0 0 0 .288
	Mg2 0 .25 .9719 .868
	Fe2 0 .25 .9719 .132
	Mg3 .25 .1257 .25 .710
	Fe3 .25 .1257 .25 .290
	Si 0 .1209 .6171
	O1 0 .25 .2220
	O2 0 .25 .7193
	O3 0 .9887 .2542
	O4 .2622 .1247 .9924
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Wadsleyite
	Hazen R M, Weinberger M B, Yang H, Prewitt C T
	American Mineralogist 85 (2000) 770-777
	Comparative high-pressure crystal chemistry of wadsleyite,
	beta-(Mg_1-xFe_x)2SiO4, with x=0 and 0.25
	Sample: P = 10.12 GPa, X = .25
	_database_code_amcsd 0002450
	5.6365 11.3464 8.1358 90 90 90 Imma
	atom x y z occ
	Mg1 0 0 0 .712
	Mg1 0 0 0 .288
	Mg2 0 .25 .9719 .868
	Fe2 0 .25 .9719 .132
	Mg3 .25 .1254 .25 .710
	Fe3 .25 .1254 .25 .290
	Si 0 .1211 .6175
	O1 0 .25 .2222
	O2 0 .25 .7198
	O3 0 .9886 .2544
	O4 .2613 .1248 .9925
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 25 C
	_database_code_amcsd 0003924
	5.2768 5.4213 7.5548 90 90 90 Pbnm
	atom x y z Uiso
	Na .9877 .0493 .25 .035
	Mg 0 .5 0 .015
	F1 .0892 .4677 .25 .027
	F2 .6963 .2968 .0546 .029
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 200 C
	_database_code_amcsd 0003925
	5.3047 5.4282 7.5864 90 90 90 Pbnm
	atom x y z Uiso
	Na .9856 .0455 .25 .036
	Mg 0 .5 0 .014
	F1 .0870 .4669 .25 .018
	F2 .6951 .2956 .0481 .033
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 400 C
	_database_code_amcsd 0003926
	5.3350 5.4352 7.6227 90 90 90 Pbnm
	atom x y z Uiso
	Na .9893 .0377 .25 .038
	Mg 0 .5 0 .012
	F1 .0812 .4732 .25 .024
	F2 .7000 .2952 .0461 .023
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 600 C
	_database_code_amcsd 0003927
	5.3678 5.4440 7.6587 90 90 90 Pbnm
	atom x y z Uiso
	Na .9930 .0296 .25 .051
	Mg 0 .5 0 .021
	F1 .0788 .4783 .25 .036
	F2 .7017 .2970 .0408 .035
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 700 C
	_database_code_amcsd 0003928
	5.3915 5.4532 7.6831 90 90 90 Pbnm
	atom x y z Uiso
	Na .9988 .0286 .25 .053
	Mg 0 .5 0 .018
	F1 .0697 .4842 .25 .034
	F2 .7078 .2978 .0396 .044
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 800 C
	_database_code_amcsd 0003929
	5.4162 5.4629 7.7092 90 90 90 Pbnm
	atom x y z Uiso
	Na .9980 .0242 .25 .064
	Mg 0 .5 0 .025
	F1 .0607 .4914 .25 .058
	F2 .7028 .2884 .0407 .048
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 900 C
	_database_code_amcsd 0003930
	5.4480 5.4677 7.7366 90 90 90 Pbnm
	atom x y z Uiso
	Na .9967 .0191 .25 .121
	Mg 0 .5 0 .053
	F1 .0307 .4788 .25 .580
	F2 .7240 .2835 .0295 .077
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	Neighborite
	Chen J, Liu H, Martin C D, Parise J B, Weidner D J
	American Mineralogist 90 (2005) 1534-1539
	Crystal chemistry of NaMgF3 perovskite and high pressure and temperature
	Sample: P = 4 GPa, T = 1000 C, high-T polymorph
	_database_code_amcsd 0003931
	3.8760 3.8760 3.8760 90 90 90 Pm-3m
	atom x y z Uiso
	Na 0 0 0 .111
	Mg .5 .5 .5 .046
	F .5 .5 0 .135
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	CsAlSiO4
	Gatta G D, Rotiroti N, Zanazzi P F, Rieder M, Drabek M, Weiss Z, Klaska R
	American Mineralogist 93 (2008) 988-995
	Synthesis and crystal structure of the feldspathoid CsAlSiO4: An
	open-framework silicate and potential nuclear waste disposal phase
	Locality: Synthetic
	_database_code_amcsd 0004598
	9.414 5.435 8.875 90 90 90 Pc2_1n
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cs .20052 .50015 .50043 .01591 .0175 .0146 .0157 .0014 .00023 .00001
	Si .08469 .0004 .19052 .0047 .0056 .0034 .0052 -.0021 -.0005 .0018
	Al .41511 -.0036 .31650 .0041 .0047 .0023 .0053 .0006 -.0003 -.0008
	O1 .0877 -.0047 .0104 .0161 .032 .013 .0035 .003 .0017 .001
	O2 .0024 -.2413 .2502 .011 .015 .012 .007 -.005 -.007 .003
	O3 .0040 .2404 .2551 .020 .034 .013 .012 -.003 .008 .003
	O4 .2437 .0034 .2536 .0241 .010 .034 .028 .001 -.0056 -.009
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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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	Annite-(Cs)
	Drabek M, Rieder M, Viti C, Weiss Z, Fryda J
	The Canadian Mineralogist 36 (1998) 755-761
	Hydrothermal synthesis of a Cs ferruginous trioctahedral mica
	Sample: Cs-156
	_database_code_amcsd 0005541
	5.4065 9.3829 10.7993 90 99.637 90 C2/m
	atom x y z occ Biso
	Cs 0 .5 0 1.51
	Fe1 0 0 .5 1.51
	Fe2 0 .3352 .5 1.51
	Si .0823 .1694 .2405 .75 1.51
	Al .0823 .1694 .2405 .25 1.51
	O1 .0687 0 .1831 1.51
	O2 .3286 .2416 .1738 1.51
	O3 .1361 .1662 .3921 1.51
	O4 .1204 .5 .3743 1.51
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	Protolithionite
	Weiss Z, Rieder M, Smrcok L, Petricek V, Bailey S W
	European Journal of Mineralogy 5 (1993) 493-502
	Refinement of the crystal structures of two "protolithionites"
	Sample : 1M
	_database_code_amcsd 0006481
	5.3655 9.293 10.198 90 100.47 90 C2/m
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	KMi 0 .5 0 .92 .0221 .0075 .0080 0 .0021 0
	NaMi 0 .5 0 .09 .0221 .0075 .0080 0 .0021 0
	CaMi 0 .5 0 .01 .0221 .0075 .0080 0 .0021 0
	RbMi 0 .5 0 .01 .0221 .0075 .0080 0 .0021 0
	AlM1 0 0 .5 .11 .0069 .0025 .0030 0 .0011 0
	MgM1 0 0 .5 .01 .0069 .0025 .0030 0 .0011 0
	FeM1 0 0 .5 .72 .0069 .0025 .0030 0 .0011 0
	MnM1 0 0 .5 .03 .0069 .0025 .0030 0 .0011 0
	LiM1 0 0 .5 .11 .0069 .0025 .0030 0 .0011 0
	AlM2 0 .3307 .5 .18 .0060 .0026 .0029 0 .0006 0
	MgM2 0 .3307 .5 .01 .0060 .0026 .0029 0 .0006 0
	FeM2 0 .3307 .5 .65 .0060 .0026 .0029 0 .0006 0
	MnM2 0 .3307 .5 .02 .0060 .0026 .0029 0 .0006 0
	LiM2 0 .3307 .5 .11 .0060 .0026 .0029 0 .0006 0
	SiT .0755 .1666 .2253 .745 .0062 .0025 .0027 0 .0008 0
	AlT .0755 .1666 .2253 .255 .0062 .0025 .0027 0 .0008 0
	O1 .0487 0 .1676 .0230 .0042 .0043 0 .0007 0
	O2 .3085 .2466 .1671 .0162 .0068 .0040 -.0026 .0012 -.0001
	O3 .1321 .1668 .3905 .0137 .0043 .0031 .0002 .0013 0
	OH .1245 .5 .3929 .49 .0093 .0059 .0038 0 .0011 0
	F .1245 .5 .3929 .495 .0093 .0059 .0038 0 .0011 0
	Cl .1245 .5 .3929 .015 .0093 .0059 .0038 0 .0011 0
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	Protolithionite
	Weiss Z, Rieder M, Smrcok L, Petricek V, Bailey S W
	European Journal of Mineralogy 5 (1993) 493-502
	Refinement of the crystal structures of two "protolithionites"
	Sample : 3T
	Note: x-coordinate of M3 changed in order to obey symmetry constraints
	_database_code_amcsd 0006482
	5.309 5.309 29.818 90 90 120 P3_112
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	KMi -.1178 .1178 .8333 .92 .0265 .0265 .0008 .0136 -.0001 -.0001
	NaMi -.1178 .1178 .8333 .03 .0265 .0265 .0008 .0136 -.0001 -.0001
	RbMi -.1178 .1178 .8333 .04 .0265 .0265 .0008 .0136 -.0001 -.0001
	CaMi -.1178 .1178 .8333 .01 .0265 .0265 .0008 .0136 -.0001 -.0001
	FeM1 .8976 .4488 0 .67 .011 .011 .0002 .006 .0003 .0003
	MnM1 .8976 .4488 0 .01 .011 .011 .0002 .006 .0003 .0003
	LiM1 .8976 .4488 0 .12 .011 .011 .0002 .006 .0003 .0003
	AlM2 .2356 .1178 0 .68 .011 .011 .0002 .010 -.0005 -.0005
	FeM2 .2356 .1178 0 .25 .011 .011 .0002 .010 -.0005 -.0005
	MnM2 .2356 .1178 0 .01 .011 .011 .0002 .010 -.0005 -.0005
	FeM3 .5612 .7806 0 .67 .011 .011 .0004 .008 -.0004 -.0004
	MnM3 .5612 .7806 0 .01 .011 .011 .0004 .008 -.0004 -.0004
	LiM3 .5612 .7806 0 .25 .011 .011 .0004 .008 -.0004 -.0004
	SiT1 .2212 -.2093 -.0913 .715 .010 .009 .0003 .0064 .0000 .0000
	AlT1 .2212 -.2093 -.0913 .285 .010 .009 .0003 .0064 .0000 .0000
	SiT2 .5496 .4454 -.0911 .77 .010 .007 .0002 .0048 -.0001 .0001
	AlT2 .5496 .4454 -.0911 .23 .010 .007 .0002 .0048 -.0001 .0001
	O1 .2330 -.1873 -.0362 .017 .023 .0005 .0011 -.0001 .0000
	O2 .5372 .4269 -.0356 .019 .014 .0002 .009 .0001 .0002
	O3 .3664 .1199 -.1132 .028 .014 .0004 .007 -.0001 .0001
	O4 -.1163 .5963 -.1095 .018 .025 .0004 .007 -.0002 -.0003
	O5 .4070 -.3622 -.1099 .028 .028 .0004 .020 .0004 .0004
	OH -.0683 .1137 -.0343 .47 .011 .011 .0003 .002 .0000 -.0002
	F -.0683 .1137 -.0343 .53 .011 .011 .0003 .002 .0000 -.0002
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	Zinnwaldite-2M1
	Rieder M, Hybler J, Smrcok L, Weiss Z
	European Journal of Mineralogy 8 (1996) 1241-1248
	Refinement of the crystal structure of zinnwaldite 2M_1
	Locality: Barbora mine, Krupka, Czech Republic
	_database_code_amcsd 0006631
	5.292 9.187 19.935 90 95.40 90 Cc
	atom x y z occ Uiso
	KMi 0 .0894 .25 .978 .0271
	FeM1 .2611 .7539 .0000 .59 .0116
	LiM1 .2611 .7539 .0000 .27 .0116
	AlM2 .7657 .5882 .0001 .9 .0108
	FeM2 .7657 .5882 .0001 .1 .0108
	FeM3 -.7421 -.5808 -.0005 .644 .0117
	LiM3 -.7421 -.5808 -.0005 .216 .0117
	SiT1 .4629 .9256 .1365 .81 .0095
	AlT1 .4629 .9256 .1365 .19 .0095
	SiT11 -.4628 -.9178 -.1363 .75 .0100
	AlT11 -.4628 -.9178 -.1363 .25 .0100
	SiT2 .9621 .7531 .1371 .79 .0134
	AlT2 .9621 .7531 .1371 .21 .0134
	SiT21 -.9557 -.7549 -.1357 .76 .0063
	AlT21 -.9557 -.7549 -.1357 .24 .0063
	O1 .4337 .9390 .0545 .0143
	O11 -.4479 -.9123 -.0526 .0088
	O2 .9344 .7417 .0541 .0099
	O21 -.9079 -.7635 -.0524 .0116
	O3 .9466 .5898 .1699 .0197
	O31 -.9371 -.5872 -.1637 .0211
	O4 .2403 .8240 .1637 .0212
	O41 -.2321 -.8226 -.1640 .0194
	O5 .7384 .8543 .1644 .0193
	O51 -.7337 -.8504 -.1692 .0170
	OH .4873 .5874 .0507 .545 .0214
	F .4873 .5874 .0507 .455 .0214
	OH1 -.4020 -.5599 -.0497 .545 .0216
	F1 -.4020 -.5599 -.0497 .455 .0216
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	Ferriannite-(Cs)
	Mellini M, Weiss Z, Rieder M, Drabek M
	European Journal of Mineralogy 8 (1996) 1265-1271
	Cs-ferriannite as a possible host for waste cesium: crystal
	structure and synthesis
	_database_code_amcsd 0006633
	5.487 9.506 10.826 90 99.83 90 C2/m
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cs 0 .5 0 .968 .0217 .0205 .0185 0 .0023 0
	FeM1 0 0 .5 .984 .0067 .0048 .0128 0 .0025 0
	FeM2 0 .3322 .5 .982 .0068 .0048 .0131 0 .0012 0
	SiT .0794 .1666 .2382 .781 .0091 .0082 .0109 -.0002 .0020 .0009
	FeT .0794 .1666 .2382 .219 .0091 .0082 .0109 -.0002 .0020 .0009
	O1 .0595 0 .1833 .042 .032 .028 0 .0002 0
	O2 .3120 .2495 .1847 .037 .042 .025 -.001 .006 -.006
	O3 .1340 .1667 .3971 .009 .008 .013 -.000 .002 .000
	O4 .1327 .5 .4009 .010 .007 .017 0 .001 0
	H .089 .5 .314
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	Na2Si2O5
	Rakic S, Kahlenberg V, Weidenthaler C, Zibrowius B
	Physics and Chemistry of Minerals 29 (2002) 477-484
	Structural characterization of high-pressure C-Na2Si2O5
	by single-crystal diffraction and 29Si MAS NMR
	_database_code_amcsd 0008657
	4.8521 23.9793 8.1410 90 90.15 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Na1 .2299 .26138 .5247 .0244 .0240 .0246 .0247 .0009 .0008 .0049
	Na2 .2743 .51408 .3548 .0215 .0215 .0208 .0221 .0001 .0015 .0024
	Na3 .2534 .47281 -.1019 .0225 .0219 .0248 .0208 .0018 .0002 .0031
	Na4 .7548 .28108 .2783 .0229 .0211 .0266 .0209 .0006 .0005 .0027
	Si1 .2961 .36325 .1966 .0146 .0136 .0166 .0135 .0002 .0012 .0002
	Si2 .6843 .34077 .6429 .0145 .0134 .0156 .0145 .0002 .0001 .0000
	Si3 .1831 .40821 .5373 .0145 .0132 .0156 .0147 .0002 .0008 .0003
	Si4 .7948 .38941 -.0185 .0152 .0135 .0183 .0137 .0001 .0002 .0003
	O1 .1210 .3844 .0352 .0195 .0165 .0243 .0176 .0006 .0010 .0021
	O2 .2339 .3015 .2523 .0199 .0196 .0195 .0206 .0007 .0002 .0018
	O3 .6209 .3690 .1429 .0184 .0172 .0221 .0159 .0002 .0011 .0006
	O4 .2440 .4105 .3392 .0182 .0204 .0182 .0159 .0002 .0022 .0002
	O5 .7431 .3414 -.1590 .0192 .0220 .0189 .0166 .0005 .0006 .0015
	O6 .7456 .2819 .5655 .0184 .0194 .0179 .0179 .0001 .0002 .0002
	O7 .3573 .3561 .6162 .0182 .0160 .0187 .0199 .0004 .0001 .0020
	O8 -.1423 .3920 .5597 .0180 .0189 .0172 .0180 .0004 .0011 .0012
	O9 .2452 .4667 .6166 .0183 .0196 .0203 .0149 .0004 .0002 .0005
	O10 .7336 .4511 -.0767 .0195 .0198 .0192 .0195 .0022 .0002 .0006
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	Mica
	Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
	Physics and Chemistry of Minerals 30 (2003) 198-205
	Pressure-induced phase transition in synthetic trioctahedral Rb-mica
	Sample: P = .0001 GPa, data collected in air
	_database_code_amcsd 0008757
	5.476 9.493 10.514 90 99.95 90 C2/m
	atom x y z occ Uiso
	Rb 0 .5 0 .99 .0317
	FeM1 0 0 .5 .0121
	FeM2 0 .33215 .5 .0126
	FeT .0766 .1665 .22948 .2675 .0139
	SiT .0766 .1665 .22948 .74 .0139
	O1 .047 0 .1736 .0446
	O2 .3139 .2443 .1740 .0445
	O3 .1308 .1665 .3931 .0138
	OH .1322 .5 .3988 .0158
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	Mica
	Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
	Physics and Chemistry of Minerals 30 (2003) 198-205
	Pressure-induced phase transition in synthetic trioctahedral Rb-mica
	Sample: P = .0001 GPa, data collected at room conditions in the DAC
	_database_code_amcsd 0008758
	5.478 9.489 10.521 90 99.95 90 C2/m
	atom x y z occ Uiso
	Rb 0 .5 0 .99 .021
	FeM1 0 0 .5 .011
	FeM2 0 .3321 .5 .0115
	FeT .0761 .1665 .2291 .2675 .0152
	SiT .0761 .1665 .2291 .74 .0152
	O1 .040 0 .172 .040
	O2 .316 .243 .173 .037
	O3 .131 .167 .391 .013
	OH .133 .5 .410 .014
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	Mica
	Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
	Physics and Chemistry of Minerals 30 (2003) 198-205
	Pressure-induced phase transition in synthetic trioctahedral Rb-mica
	Sample: P = 1.76 GPa
	_database_code_amcsd 0008759
	5.442 9.435 10.185 90 100.3 90 C2/m
	atom x y z occ Uiso
	Rb 0 .5 0 .99 .024
	FeM1 0 0 .5 .0096
	FeM2 0 .3328 .5 .0102
	FeT .0742 .1664 .223 .2675 .0132
	SiT .0742 .1664 .223 .74 .0132
	O1 .033 0 .167 .040
	O2 .317 .240 .165 .048
	O3 .133 .1666 .401 .011
	OH .135 .5 .395 .018
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	Mica
	Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
	Physics and Chemistry of Minerals 30 (2003) 198-205
	Pressure-induced phase transition in synthetic trioctahedral Rb-mica
	Sample: P = 2.81 GPa
	_database_code_amcsd 0008760
	5.412 9.392 10.120 90 100.2 90 C2/m
	atom x y z occ Uiso
	Rb 0 .5 0 .99 .085
	FeM1 0 0 .5 .006
	FeM2 0 .3328 .5 .006
	FeT .075 .1661 .222 .2675 .018
	SiT .075 .1661 .222 .74 .018
	O1 .021 0 .174 .063
	O2 .318 .236 .152 .066
	O3 .130 .164 .389 .011
	OH .122 .5 .360 .002
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	Mica
	Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
	Physics and Chemistry of Minerals 30 (2003) 198-205
	Pressure-induced phase transition in synthetic trioctahedral Rb-mica
	Sample: P = 4.75 GPa
	_database_code_amcsd 0008761
	5.420 9.383 9.846 90 100.8 90 C2/m
	atom x y z occ Uiso
	Rb 0 .5 0 .99 .153
	FeM1 0 0 .5 .011
	FeM2 0 .3327 .5 .011
	FeT .076 .1663 .227 .2675 .022
	SiT .076 .1663 .227 .74 .022
	O1 .11 0 .18 .149
	O2 .273 .263 .155 .064
	O3 .144 .158 .417 .033
	OH .127 .5 .366 .000
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	Mica
	Comodi P, Drabek M, Montagnoli M, Rieder M, Weiss Z, Zanazzi P F
	Physics and Chemistry of Minerals 30 (2003) 198-205
	Pressure-induced phase transition in synthetic trioctahedral Rb-mica
	Sample: P = 7.2 GPa
	_database_code_amcsd 0008762
	5.410 9.325 9.645 90 100.7 90 C2/m
	atom x y z occ Uiso
	Rb 0 .5 0 .99 .146
	FeM1 0 0 .5 .015
	FeM2 0 .334 .5 .012
	FeT .068 .167 .211 .2675 .027
	SiT .068 .167 .211 .74 .027
	O1 .09 0 .17 .096
	O2 .276 .271 .16 .076
	O3 .129 .164 .39 .014
	OH .131 .5 .372 .000
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	Pingguite
	Nenert G, Missen O P, Lian H, Weil M, Blake G R, Kampf A R, Mills S J
	Physics and Chemistry of Minerals 47 (2020) 53
	Crystal structure and thermal behavior of Bi6Te2O15: investigation of
	synthetic and natural pingguite
	Locality: Blue Bell mine, California, USA
	_database_code_amcsd 0020925
	10.637 22.797 5.4136 90 90 90 Pnma
	atom x y z
	Bi1 .11670 .62239 .2659
	Bi2 .37994 .00591 .2823
	Bi3 .1380 .25 .7759
	Bi4 .3903 .25 .2693
	Te .1316 .12789 .2521
	O1 .004 .1628 .050
	O2 .011 .0721 .388
	O3 .0627 .5324 .142
	O4 .076 .1795 .505
	O5 .2481 .1855 .124
	O6 .258 .0935 .450
	O7 .313 .5764 .498
	O8 .325 .25 .640
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	Pingguite
	Nenert G, Missen O P, Lian H, Weil M, Blake G R, Kampf A R, Mills S J
	Physics and Chemistry of Minerals 47 (2020) 53
	Crystal structure and thermal behavior of Bi6Te2O15: investigation of
	synthetic and natural pingguite
	Locality: synthetic
	_database_code_amcsd 0020926
	10.61155 22.74458 5.399038 90 90 90 Pnma
	atom x y z
	Bi1 .11570 .62244 .2670
	Bi2 .3795 .005860 .2827
	Bi3 .1403 .25 .7246
	Bi4 .3898 .25 .2692
	Te .1303 .12817 .2508
	O1 .004 .1621 .041
	O2 .014 .0740 .390
	O3 .061 .5332 .153
	O4 .077 .1814 .505
	O5 .248 .1868 .121
	O6 .260 .0965 .455
	O7 .305 .5783 .510
	O8 .328 .25 .639
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	Ferrocarpholite
	MacGillavry C H, Korst W L, Weichel Moore E J, van der Plas H J
	Acta Crystallographica 9 (1956) 773-776
	The crystal structure of ferrocarpholite
	Locality: west of Tomata, eastern Central Celebes, Indonesia
	_database_code_amcsd 0017757
	13.77 20.18 5.109 90 90 90 Ccca
	atom x y z
	Fe 0 .125 0
	Al1 .190 .0 0
	Al2 0 .211 .5
	Si .194 .13 .658
	OH1 .097 .056 .161
	O2 .206 .047 .661
	O3 .25 .163 .911
	O4 .082 .151 .661
	OH5 .069 .218 .161
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	Manganese-alpha
	Gazzara C P, Middleton R M, Weiss R J, Hall E O
	Acta Crystallographica 22 (1967) 859-862
	A refinement of the parameters of alpha manganese
	Localilty: synthetic
	Sample: at T = 298K
	_database_code_amcsd 0009311
	8.9125 8.9125 8.9125 90 90 90 I-43m
	atom x y z Biso
	Mn1 0 0 0 .445
	Mn2 .316 .316 .316 .445
	Mn3 .356 .356 .034 .445
	Mn4 .089 .089 .282 .445
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	Manganotantalite
	Klein S, Weitzel H
	Acta Crystallographica A32 (1976) 587-591
	Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit
	Note: columbite structure
	_database_code_amcsd 0009322
	14.418 5.76 5.099 90 90 90 Pbcn
	atom x y z occ Biso
	Mn 0 .1769 .25 .57
	Nb .16275 .3233 .7643 .5 .34
	Ta .16275 .3233 .7643 .5 .34
	O1 .0993 .4019 .4422 .50
	O2 .0828 .1159 .9022 .61
	O3 .2562 .1266 .5913 .52
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	Tantalite-(Mn)
	Klein S, Weitzel H
	Acta Crystallographica A32 (1976) 587-591
	Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit
	Note: columbite structure
	_database_code_amcsd 0009323
	14.418 5.76 5.099 90 90 90 Pbcn
	atom x y z occ Biso
	Mn 0 .1769 .25 .57
	Nb .16275 .3233 .7643 .5 .34
	Ta .16275 .3233 .7643 .5 .34
	O1 .0993 .4019 .4422 .50
	O2 .0828 .1159 .9022 .61
	O3 .2562 .1266 .5913 .52
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	Mcalpineite
	Missen O P, Mills S J, Canossa S, Hadermann J, Nénert G, Weil M, Libowitzky E,
	Housley R M, Artner W, Kampf A R, Rumsey M S, Spratt J, Momma K, Dunstan M A
	Acta Crystallographica B78 (2022) 20-32
	Polytypism in mcalpineite: a study of natural and synthetic Cu3TeO6
	Sample: ED
	Locality: Synthetic
	_database_code_amcsd 0021066
	9.745 9.749 9.771 90 90 90 Pcca
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te1 .5 .5 .5 .0239 .020 .024 .027 -.001 .001 .001
	Te2 .75 0 .3028 .0356 .033 .033 .041 -.004 0 0
	Cu1 .5 0 .5 .028 .021 .019 .043 -.001 -.002 .001
	Cu2 .5 .7169 .25 .020 .023 .012 .025 0 -.005 0
	Cu3 .75 .5 .2166 .021 .010 .028 .025 .012 0 0
	Cu4 .2191 .7482 .5046 .0355 .014 .025 .067 -.002 .007 -.016
	Cu5 .5 .2208 .25 .044 .067 .025 .040 0 .024 0
	O1 .6189 .5762 .3532 .022 .018 .019 .028 .011 -.003 .007
	O2 .4304 .3500 .3824 .030 .028 .019 .043 -.005 .012 .016
	O3 .3546 .8778 .5641 .034 .018 .048 .035 .001 .011 -.020
	O4 .3555 .6174 .4220 .023 .020 .013 .035 .004 .008 .003
	O5 .4000 .8580 .140 .033 .033 .011 .056 -.003 -.008 -.001
	O6 .643 .091 .169 .055 .077 .044 .042 .032 .012 .002
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	Mcalpineite
	Missen O P, Mills S J, Canossa S, Hadermann J, Nénert G, Weil M, Libowitzky E,
	Housley R M, Artner W, Kampf A R, Rumsey M S, Spratt J, Momma K, Dunstan M A
	Acta Crystallographica B78 (2022) 20-32
	Polytypism in mcalpineite: a study of natural and synthetic Cu3TeO6
	Sample: Rietveld
	Locality: Synthetic
	_database_code_amcsd 0021067
	9.56156 9.55853 9.62891 90 90 90 Pcca
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Te1 .5 .5 .5 .0112 .0184 .0010 .0141 -.0033 -.0131 .0020
	Te2 .75 0 .30388 .0159 .0123 .0312 .0041 .0234 0 0
	Cu1 .5 0 .5 .01011
	Cu2 .5 .7205 .25 .01011
	Cu3 .75 .5 .2180 .01011
	Cu4 .2157 .7484 .4998 .01011
	Cu5 .5 .2244 .25 .01011
	O1 .6176 .5795 .3482 .01011
	O2 .4254 .3544 .3857 .01011
	O3 .3623 .8642 .5666 .01011
	O4 .33984 .6067 .4283 .01011
	O5 .3965 .85823 .1547 .01011
	O6 .6298 .0906 .1614 .01011
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	AgBaC3H2O6P.3H2O
	Weichsel A, Lis T
	Acta Crystallographica C46 (1990) 962-965
	Structure of silver(I) barium phosphoenolpyruvate trihydrate
	_database_code_amcsd 0010137
	6.578 23.811 6.610 90 90.57 90 P2_1/a
	atom x y z Uiso
	Ba .75284 .68488 .47973 .013
	Ag .09055 .55547 .47839 .030
	P .28669 .67253 .75315 .012
	O1 .3945 .72250 .6683 .022
	O2 .1106 .65109 .6315 .027
	O3 .2443 .67658 .9785 .021
	O4 .4725 .62561 .7337 .018
	O5 .7683 .57050 .5807 .028
	O6 .6585 .48750 .6897 .024
	O7 .5067 .74946 .1986 .024
	O8 .9396 .61638 .1663 .040
	O9 .5131 .61717 .2252 .036
	C1 .6428 .53963 .6676 .016
	C2 .4567 .56833 .7528 .015
	C3 .3039 .54037 .8361 .023
	H3 .176 .559 .911 .038
	H31 .311 .496 .860 .028
	H7 .632 .758 .129 .091
	H71 .421 .725 .117 .060
	H8 .041 .633 .079 .041
	H81 .816 .607 .091 .051
	H9 .505 .577 .208 .130
	H91 .423 .636 .131 .024
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	Li(C6H7)(C6H16N2)
	Hammel A, Schwarz W, Weidlein J
	Acta Crystallographica C46 (1990) 2337-2339
	(n5-methylcyclopentadienyl)(N,N,N',N'-tetramethylethylenediamine)lithium*
	_database_code_amcsd 0010235
	11.238 16.014 14.522 90 90 90 Pbca
	atom x y z Uiso
	Li .2118 .3103 .3976 .027
	N1 .1221 .3859 .2989 .022
	N2 .2282 .4223 .4750 .023
	C11 .0058 .3742 .3131 .036
	C12 .1486 .3696 .2017 .034
	C21 .3542 .4452 .4713 .035
	C22 .1907 .4164 .5715 .041
	C111 .1582 .4716 .3236 .027
	C222 .1553 .4851 .4265 .026
	C1 .1729 .1733 .3681 .024
	C2 .2861 .1916 .3334 .028
	C3 .3599 .2154 .4071 .031
	C4 .2919 .2117 .4877 .029
	C5 .1776 .1866 .4638 .026
	C6 .0686 .1412 .3142 .039
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	CdAs2O6
	Weil M
	Acta Crystallographica E57 (2001) i22-i23
	Cadmium(II) metaarsenate(V), CdAs2O6
	_database_code_amcsd 0010351
	4.8269 4.8269 4.8660 90 90 120 P-31m
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cd 0 0 0 .00641 .00700 .00700 .00522 .00350 0 0
	As 1/3 2/3 .5 .00374 .00321 .00321 .00480 .00161 0 0
	O .6243 0 .2913 .0062 .0067 .0042 .0068 .0021 .0023 0
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	Cd2As2O7
	Weil M
	Acta Crystallographica E57 (2001) i28-i29
	Cadmium(II) diarsenate(V), Cd2As2O7
	_database_code_amcsd 0010354
	6.9446 9.0365 4.8530 90 101.770 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)
	Cd 0 .30427 .5 .01120 .00994 .01029 .01280 0 .00099 0
	As .22491 0 .91086 .00851 .00690 .01061 .00793 0 .00128 0
	O1 0 0 0 .070 .017 .113 .090 0 .034 0
	O2 .3843 0 .2172 .0148 .0210 .0120 .0084 0 -.0043 0
	O3 .2344 .1541 .7247 .0153 .0164 .0135 .0159 .0041 .0032 .0058
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	PbFI
	Weil M, Kubel F
	Acta Crystallographica E57 (2001) i80-i81
	Matlockite-type PbFI
	_database_code_amcsd 0010361
	4.2374 4.2374 8.800 90 90 90 *P4/nmm
	.25 -.25 0
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb .25 .25 .16392 .0225 .0178 .0178 .0318 0 0 0
	I .25 .25 .66297 .0177 .0147 .0147 .0237 0 0 0
	F .75 .25 0 .022 .017 .017 .032 0 0 0
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	Schuetteite
	Weil M
	Acta Crystallographica E57 (2001) i98-i100
	Schuetteite, Hg3(SO4)O2, a re-investigation
	Locality: synthetic
	_database_code_amcsd 0010366
	7.0429 7.0429 10.0166 90 90 120 P3_121
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Hg1 .18904 .50427 .31516 .01543 .0116 .01295 .02007 .00489 -.00111 -.00063
	Hg2 .70266 0 .3333 .01503 .01365 .0100 .0202 .00502 .00068 .0014
	S .2231 0 .3333 .0180 .0183 .0179 .0178 .0089 -.0005 -.0011
	O1 .1553 .4840 .0490 .0169 .009 .007 .028 -.001 -.001 -.001
	O2A .256 .202 .2578 .50 .027
	O2B .133 .123 .2706 .50 .027
	O3A .399 .076 .4362 .50 .025
	O3B .391 .135 .431 .50 .025
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	BaCaAlF7
	Werner F, Weil M
	Acta Crystallographica E59 (2003) i17-i19
	alpha-BaCaAlF7
	_database_code_amcsd 0010396
	5.3664 5.3846 18.8262 90 92.319 90 P2/n
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .24906 .24041 -.067757 .01162 .01257 .01309 .00916 .00207 -.00020 .00030
	Ca1 .75 .20769 .75 .00786 .0084 .0073 .0078 0 -.0005 0
	Ca2 .25 .68150 .75 .00703 .0064 .0077 .0070 0 .0004 0
	Al .20069 .22470 .38092 .00837 .0091 .0089 .0071 .0002 .0000 .0002
	F1 .5997 .5949 .56404 .0165 .0170 .0201 .0122 -.0069 -.0017 -.0016
	F2 .5649 .8622 .68045 .0141 .0139 .0135 .0153 -.0004 .0054 -.0031
	F3 .0901 .4812 .32626 .0133 .0129 .0121 .0146 -.0013 -.0023 .0047
	F4 .4141 .3614 .69206 .0133 .0136 .0140 .0121 .0027 -.0017 -.0031
	F5 .0530 .7185 .56042 .0159 .0132 .0200 .0151 .0027 .0053 -.0009
	F6 .0154 -.0288 .67494 .0122 .0107 .0138 .0120 -.0022 -.0002 -.0012
	F7 .2750 -.0454 .43446 .0167 .0190 .0144 .0167 .0033 .0005 .0049
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	HgB4O7
	Weil M
	Acta Crystallographica E59 (2003) i40-i42
	HgB4O7, a member of the isotypic MIIB4O7 family (MII = Mg, Mn, Zn, Cd)
	_database_code_amcsd 0010401
	8.3994 8.8066 14.1370 90 90 90 Pbca
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Hg .13938 .112248 .116933 .01136 .01536 .01114 .00757 -.00247 .00404 .00182
	B1 .4542 .2810 .0616 .0079 .010 .0087 .0050 .0002 -.0014 .0012
	B2 .5109 .3294 .2348 .0079 .011 .0084 .0045 .0015 -.0008 -.0017
	B3 .5165 .0632 .1609 .0076 .011 .0100 .0016 .0000 -.0001 -.0004
	B4 .7176 .1487 .0489 .0084 .012 .0098 .0037 -.0008 .0010 -.0013
	O1 .0426 .4173 .1895 .0106 .0181 .0094 .0042 .0032 .0009 .0019
	O2 .4003 .1332 .0933 .0082 .0088 .0110 .0049 -.0015 .0001 .0053
	O3 .3627 .3646 -.0064 .0120 .0129 .0116 .0115 -.0018 -.0048 .0066
	O4 .4651 .3834 .1474 .0104 .0194 .0065 .0053 .0022 -.0019 .0013
	O5 .5288 .1730 .2448 .0113 .0222 .0057 .0059 .0012 -.0040 -.0014
	O6 .6153 .2650 .0208 .0098 .0094 .0099 .0101 .0026 .0030 .0051
	O7 .6725 .0526 .1180 .0129 .0130 .0174 .0083 .0059 .0033 .0067
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	KPrF4
	Werner F, Weil M, Kubel F
	Acta Crystallographica E59 (2003) i47-i49
	KPrF4
	_database_code_amcsd 0010403
	6.2727 3.7821 15.578 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K .27642 .75 .20181 .01499 .0110 .0213 .0126 0 .0006 0
	Pr .25113 .25 .438200 .00661 .00646 .00644 .00693 0 .00008 0
	F1 .1374 .25 .03669 .0128 .0106 .0131 .0147 0 .0026 0
	F2 -.0044 .75 .44107 .0102 .0099 .0097 .0109 0 .0005 0
	F3 .3956 .75 .36516 .0113 .0124 .0106 .0110 0 .0026 0
	F4 .0883 .25 .30555 .0143 .0170 .0158 .0101 0 -.0026 0
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	ZnHg(AsO4)(OH)
	Weil M
	Acta Crystallographica E60 (2004) i25-i27
	ZnHg(AsO4)(OH) with a descloizite-type structure
	_database_code_amcsd 0010422
	7.6826 6.2459 8.6691 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Zn 0 0 0 .00928 .0113 .0077 .0088 .0007 -.0005 .0004
	Hg .39038 .25 .82965 .01511 .01543 .02212 .00777 0 .00061 0
	As .35298 .25 .18336 .00693 .0074 .0072 .0062 0 -.00175 0
	O1 .3664 .0245 .2887 .0122 .0148 .0109 .0109 .0000 -.0029 .0016
	O2 .0141 .25 .4532 .0142 .0105 .023 .0097 0 -.0032 0
	O3 .1682 .25 .0768 .0108 .0082 .0072 .017 0 -.0059 0
	O4 .3611 .25 .5879 .0086 .0033 .012 .011 0 .0030 0
	H .264 .25 .556 .03
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	CsLa(PO3)4
	Sun T, Shen G, Wang X, Wang R, Wei J, Shen D
	Acta Crystallographica E60 (2004) i28-i30
	CsLa(PO3)4
	_database_code_amcsd 0010423
	7.218 9.254 8.864 90 99.377 90 P2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cs .32599 .06604 -.17489 .03065 .0372 .0235 .0360 -.00028 .0202 -.00060
	La .20222 -.09932 .30272 .00782 .00746 .00934 .00701 .00021 .00226 -.00030
	P1 .9168 .17812 .07312 .0095 .0117 .0108 .0064 -.0004 .0023 .0008
	P2 .69456 -.02300 .22824 .0105 .0093 .0132 .0095 -.0018 .0029 .0009
	P3 .6474 .02504 .54399 .0102 .0102 .0105 .0099 -.0002 .0015 -.0014
	P4 .9393 -.20722 .62514 .0118 .0128 .0120 .0109 .0013 .0031 .0039
	O1 .8567 .2511 -.0743 .0190 .026 .018 .013 -.0003 .0039 .0034
	O2 .9607 .3021 .1993 .0179 .026 .012 .014 .0044 -.0011 -.0059
	O3 .0737 .0722 .0894 .0124 .0119 .016 .0096 .0023 .0032 .0031
	O4 .7305 .1060 .1170 .0161 .013 .020 .017 .0024 .0068 .0113
	O5 .4950 -.0665 .1825 .0170 .0110 .030 .0098 -.0041 .0018 -.0028
	O6 .8433 -.1333 .2329 .0181 .0135 .018 .024 .0006 .0082 .0008
	O7 .7231 .0573 .3886 .0191 .019 .023 .017 -.0119 .0083 -.0089
	O8 .4626 -.0448 .5110 .0229 .0101 .044 .014 -.0112 .0007 -.0029
	O9 .6624 .1584 .6349 .0297 .051 .018 .022 -.015 .011 -.0112
	O10 .7875 -.0875 .6333 .0442 .042 .060 .035 .039 .018 .014
	O11 .8521 -.3499 .5941 .0292 .048 .019 .016 -.018 -.009 .0059
	O12 .0770 -.1512 .5349 .0257 .024 .036 .022 .0024 .015 .0106
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	Fe7(AsO4)6
	Weil M
	Acta Crystallographica E60 (2004) i139-i141
	FeII3FeIII4(AsO4)6, the first arsenate adopting the Fe7(PO4)6 structure type
	_database_code_amcsd 0010440
	6.5738 8.0973 9.6190 104.843 107.936 101.842 P-1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe1 .04429 .21905 .02428 .00576 .00552 .00603 .00569 .00182 .00199 .00211
	Fe2 .27791 .30598 .78591 .00756 .00772 .00636 .00962 .00272 .00438 .00263
	Fe3 .61854 .04663 .38694 .00539 .00512 .00577 .00541 .00156 .00213 .00206
	Fe4 0 .5 .5 .00820 .00996 .00604 .00992 .00331 .00505 .00266
	As1 .09889 .09851 .33515 .00456 .00419 .00505 .00442 .00184 .00152 .00145
	As2 .22972 .65095 .27056 .00464 .00390 .00471 .00449 .00089 .00125 .00103
	As3 .60165 .26719 .12624 .00507 .00423 .00557 .00513 .00150 .00123 .00207
	O1 .0104 .6977 .15721 .0085 .0057 .0131 .0091 .0048 .0025 .0066
	O2 .0672 .04996 .14577 .0077 .0117 .0067 .0048 .0029 .0028 .0027
	O3 .1298 .03464 .65593 .0077 .0050 .0080 .0096 .0008 .0042 .0018
	O4 .1344 .3082 .42980 .0134 .0172 .0060 .0172 .0048 .0085 .0007
	O5 .2090 .4370 .19878 .0118 .0152 .0057 .0105 .0031 .0027 -.0007
	O6 .2250 .70213 .45259 .0079 .0103 .0065 .0059 .0003 .0041 .0012
	O7 .3220 .03165 .41751 .0067 .0046 .0096 .0071 .0038 .0018 .0042
	O8 .5256 .22562 .72296 .0073 .0048 .0059 .0099 -.0003 .0036 .0012
	O9 .5524 .1248 .21822 .0137 .0163 .0118 .0104 -.0002 .0013 .0076
	O10 .6470 .7427 .00272 .0090 .0063 .0149 .0076 .0049 .0024 .0057
	O11 .7379 .4727 .26302 .0103 .0113 .0058 .0093 .0003 .0010 .0007
	O12 .7557 .2149 .02408 .0138 .0081 .0213 .0120 .0063 .0058 .0020
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	Cd3[Si3O9]
	Weil M
	Acta Crystallographica E61 (2005) i102-i104
	Parawollastonite-type Cd3[Si3O9]
	_database_code_amcsd 0010446
	6.9463 7.2563 15.0697 90 94.791 90 P2_1/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cd1 .01235 .37607 .248498 .00866 .00874 .00846 .00886 -.00002 .00115 .00004
	Cd2 .24957 .62788 .098674 .00993 .01053 .00889 .01051 .00156 .00171 .00156
	Cd3 .25370 .11992 .101523 .00989 .00982 .00962 .01035 -.00154 .00142 -.00174
	Si1 .23852 .16124 .41008 .00760 .0080 .0077 .0070 .00052 -.0003 -.0002
	Si2 .23940 .59016 .41056 .00734 .0082 .0073 .0064 -.00049 -.0005 -.00004
	Si3 .54611 .37667 .19864 .00723 .0064 .0077 .0075 -.00001 .0000 -.00018
	O1 .0431 .1232 .34626 .0103 .0089 .0137 .0084 -.0008 .0005 -.0009
	O2 .0428 .6305 .34907 .0109 .0090 .0141 .0093 -.0012 .0000 .0020
	O3 .2259 .3799 .01320 .0131 .0202 .0125 .0067 .0006 .0010 -.0011
	O4 .2314 .6289 .51484 .0132 .0235 .0107 .0053 -.0003 .0012 -.0007
	O5 .2977 .37608 .40041 .0137 .0182 .0067 .0165 .0005 .0044 .0000
	O6 .3173 .3745 .20452 .0106 .0058 .0162 .0099 -.0009 .0004 -.0008
	O7 .4167 .0551 .36594 .0121 .0110 .0100 .0150 .0020 -.0008 -.0044
	O8 .5842 .1982 .13334 .0120 .0105 .0104 .0149 .0017 .0001 -.0047
	O9 .6954 .3759 .28588 .0100 .0077 .0147 .0074 .0012 -.0018 .0000
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	K2Fe[H(HPO4)2]F2
	Mi J X, Wang C X, Wei Z B, Chen F J, Xu C Y, Mao S Y
	Acta Crystallographica E61 (2005) i143-i145
	K2Fe[H(HPO4)2]F2
	Locality: synthetic
	_database_code_amcsd 0010453
	4.7586 8.2530 10.758 90 92.845 90 P2_1/c
	atom x y z
	Fe .5 0 0
	P .98546 .75976 .91368
	K .50465 .10069 .33248
	F .3227 .09144 .85181
	O1 .2445 .80846 .98918
	O2 .7682 .88937 .89246
	O3 .8489 .61110 .96974
	O4 .0946 .7080 .78368
	H1 -.0280 .6572 .7383
	H2 .9460 .5261 .9938
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	MgTe2O5
	Weil M
	Acta Crystallographica E61 (2005) i237-i239
	Redetermination of MgTe2O5
	Locality: synthetic
	_database_code_amcsd 0010460
	7.2391 10.6580 5.9880 90 90 90 Pbcn
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg 0 .44331 .25 .00966 .0094 .0092 .0104 0 -.0014 0
	Te .133353 .154562 .010001 .00856 .00683 .00788 .01098 .00041 -.00014 -.00088
	O1 .19064 .29457 .1816 .0145 .0138 .0109 .0189 .0010 -.0022 -.0049
	O2 .35061 .06582 .0487 .0120 .0098 .0123 .0138 .0051 .0015 .0016
	O3 0 .06250 .25 .0156 .0175 .0106 .0186 0 .0092 0
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	FeSO4
	Weil M
	Acta Crystallographica E63 (2007) i192-i192
	The high-temperature beta modification of iron(II) sulfate
	Locality: synthetic
	_database_code_amcsd 0010479
	8.7042 6.8013 4.7868 90 90 90 Pnma
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe 0 0 0 .00895 .00881 .00821 .00984 -.00098 .00274 -.00160
	S .32185 .25 .02339 .00617 .00547 .00710 .00596 0 -.00039 0
	O1 .37412 .07077 .16234 .01162 .0131 .01013 .01163 .00265 -.00303 .00258
	O2 .15045 .25 .03136 .00953 .0056 .0089 .0141 0 .00039 0
	O3 .37783 .25 .73194 .01058 .0124 .0119 .0075 0 .0027 0
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