Sicherite
	Graeser S, Berlepsch P, Makovicky E, Balic-Zunic T
	American Mineralogist 86 (2001) 1087-1093
	Sicherite, TlAg2(As,Sb)3S6 - a new sulfosalt from Lengenbach (Binntal, Switzerland):
	Description and structure determination
	Locality: Legenbach quarry, Binnatal, Switzerland
	_database_code_amcsd 0002673
	12.418 15.427 5.6895 90 90 90 Pmnb
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Tl1 .25 .23322 .87013 .03965 .03737 .0354 .0462 0 0 .00179
	Ag1 .07814 .80769 .15465 .0586 .0418 .0397 .0944 -.0122 -.0176 .0171
	As1 .25 .9641 .806 .57 .0257 .019 .033 .026 0 0 -.002
	Sb1 .25 .9589 .796 .43 .031 .038 .0211 .036 0 0 .003
	As2 .0950 .0551 .2949 .73 .0243 .0157 .0248 .032 .0042 .0000 .0023
	Sb2 .0955 .0524 .3069 .27 .0292 .040 .031 .017 .002 -.0008 -.0035
	S1 .25 .14175 .3705 .0272 .0218 .0299 .0299 0 0 -.0050
	S2 .25 .89253 .1615 .0273 .0239 .0258 .0322 0 0 .0023
	S3 .10710 .06197 .8866 .0273 .0214 .0313 .0290 -.0031 -.0013 .0022
	S4 .97803 .16637 .3323 .0347 .0265 .0294 .0484 .0025 .0017 -.0006
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	Mutnovskite
	Zelenski M, Balic-Zunic T, Bindi L, Garavelli A, Makovicky E, Pinto D, Vurro F
	American Mineralogist 91 (2006) 21-28
	First occurrence of iodine in natural sulfosalts: the case of mutnovskite, Pb2AsS3(I,Cl,Br),
	a new mineral from Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
	Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
	_database_code_amcsd 0003993
	11.543 6.6764 9.359 90 90 90 Pnma
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .37509 .25 .19184 .0409 .0342 .0539 .0347 0 -.0073 0
	Pb2 .17188 .75 .21713 .0512 .0363 .0817 .0355 0 -.0052 0
	As .9213 .75 .0355 .98 .0268 .0199 .0358 .0246 0 -.0013 0
	Bi .9213 .75 .0355 .02 .0268 .0199 .0358 .0246 0 -.0013 0
	S1 .2969 .9998 .4194 .993 .0310 .037 .026 .030 .002 -.001 .001
	Se1 .2969 .9998 .4194 .007 .0310 .037 .026 .030 .002 -.001 .001
	S2 .5985 .25 .2968 .993 .038 .024 .066 .022 .0 -.004 0
	Se2 .5985 .25 .2968 .007 .038 .024 .066 .022 .0 -.004 0
	IX .9544 .75 .4017 .46 .0342 .0283 .046 .028 0 -.0017 0
	ClX .9544 .75 .4017 .45 .0342 .0283 .046 .028 0 -.0017 0
	BrX .9544 .75 .4017 .09 .0342 .0283 .046 .028 0 -.0017 0
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	Ca.2Sr.8Al2Si2O8
	Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
	American Mineralogist 92 (2007) 1190-1199
	The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
	The I-1-I2/c and I2/c-P2_1/c phase transitions
	Sample: P = 0.0001 GPa
	_database_code_amcsd 0004407
	8.370 12.967 14.262 90.58 115.55 90.44 I-1
	atom x y z occ Uiso
	Ca0 .2691 .0001 .0669 .2 .015
	Sr0 .2691 .0001 .0669 .8 .015
	Caz .2676 .0064 .5636 .2 .009
	Srz .2676 .0064 .5636 .8 .009
	Si100 .0070 .1710 .1070 .008
	Al10z .0023 .1759 .6156 .009
	Al1m0 .0030 .8182 .1179 .009
	Si1mz .0062 .8246 .6088 .011
	Al200 .6920 .1197 .1675 .009
	Si20z .6827 .1124 .6687 .012
	Si2m0 .6839 .8847 .1745 .011
	Al2mz .6933 .8792 .6722 .010
	OA10 .0069 .1305 .9998 .015
	OA1z .9948 .1283 .4969 .015
	OA20 .5885 .9997 .1420 .017
	OA2z .5875 .0002 .6414 .012
	OB00 .8260 .1224 .1011 .014
	OB0z .8078 .1189 .6073 .015
	OBm0 .8071 .8698 .1151 .019
	OBmz .8263 .8658 .6077 .015
	OC00 .0162 .2951 .1241 .020
	OC0z .0188 .3081 .6372 .020
	OCm0 .0137 .6886 .1248 .021
	OCmz .0094 .6979 .6119 .015
	OD00 .1856 .1182 .1939 .016
	OD0z .1973 .1093 .7004 .020
	ODm0 .1976 .8779 .2070 .012
	ODmz .1871 .8716 .6986 .018
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	Ca.2Sr.8Al2Si2O8
	Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
	American Mineralogist 92 (2007) 1190-1199
	The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
	The I-1-I2/c and I2/c-P2_1/c phase transitions
	Sample: P = 3.2 GPa
	_database_code_amcsd 0004408
	8.256 12.842 14.088 90.51 115.38 90.88 I-1
	atom x y z occ Uiso
	Ca0 .2675 .0033 .0674 .2 .019
	Sr0 .2675 .0033 .0674 .8 .019
	Caz .2662 .0059 .5645 .2 .013
	Srz .2662 .0059 .5645 .8 .013
	Si100 .0023 .1691 .1061 .010
	Al10z .9992 .1725 .6154 .009
	Al1m0 .9985 .8182 .1176 .011
	Si1mz .0016 .8193 .6084 .009
	Al200 .6881 .1198 .1674 .010
	Si20z .6790 .1105 .6678 .011
	Si2m0 .6793 .8841 .1751 .010
	Al2mz .6883 .8765 .6724 .010
	OA10 .0031 .1260 .9972 .013
	OA1z .9964 .1336 .4981 .014
	OA20 .5829 .9929 .1433 .019
	OA2z .5829 .9972 .6450 .018
	OB00 .8209 .1125 .0991 .019
	OB0z .7996 .1188 .6028 .017
	OBm0 .8018 .8642 .1127 .017
	OBmz .8210 .8674 .6068 .017
	OC00 .0043 .2967 .1214 .012
	OC0z .0116 .3035 .6397 .017
	OCm0 .0072 .6864 .1228 .019
	OCmz .9987 .6913 .6116 .018
	OD00 .1860 .1209 .1925 .015
	OD0z .1966 .1167 .7001 .018
	ODm0 .1977 .8768 .2084 .017
	ODmz .1877 .8713 .6994 .017
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	Ca.2Sr.8Al2Si2O8
	Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
	American Mineralogist 92 (2007) 1190-1199
	The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
	The I-1-I2/c and I2/c-P2_1/c phase transitions
	Sample: P = 4.4 GPa
	_database_code_amcsd 0004409
	8.209 12.780 14.009 90 115.27 90 I2/c
	atom x y z occ Uiso
	Ca .2672 -.0005 .0671 .2 .029
	Sr .2672 -.0005 .0671 .8 .029
	Si10 .9993 .1743 .1071 .037
	Al1z .9964 .1785 .6169 .033
	Al20 .6870 .1198 .1703 .035
	Si2z .6794 .1125 .6721 .036
	OA1 .0019 .1267 .9978 .038
	OA2 .5857 .9950 .1473 .046
	OB0 .8185 .1205 .1025 .042
	OBz .7976 .1255 .6075 .044
	OC0 .0012 .3004 .1177 .047
	OCz .0051 .3135 .6311 .056
	OD0 .1864 .1248 .1975 .047
	ODz .1932 .1207 .7052 .048
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	Ca.2Sr.8Al2Si2O8
	Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
	American Mineralogist 92 (2007) 1190-1199
	The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
	The I-1-I2/c and I2/c-P2_1/c phase transitions
	Sample: P = 6.2 GPa
	_database_code_amcsd 0004410
	8.128 12.671 13.866 90 114.98 90 I2/c
	atom x y z occ Uiso
	Ca .2654 .0009 .0685 .2 .043
	Sr .2654 .0009 .0685 .8 .043
	Si10 .9955 .1773 .1070 .044
	Al1z .9933 .1755 .6176 .043
	Al20 .6844 .1243 .1707 .041
	Si2z .6748 .1131 .6720 .044
	OA1 .0027 .1293 .9981 .034
	OA2 .5812 .0033 .1482 .055
	OB0 .8186 .1180 .1045 .060
	OBz .7940 .1171 .6048 .054
	OC0 .9884 .3034 .1141 .054
	OCz .9955 .3115 .6267 .055
	OD0 .1832 .1249 .1943 .054
	ODz .1915 .1171 .7020 .056
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	Ca.2Sr.8Al2Si2O8
	Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E
	American Mineralogist 92 (2007) 1190-1199
	The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar:
	The I-1-I2/c and I2/c-P2_1/c phase transitions
	Sample: P = 7.4 GPa
	_database_code_amcsd 0004411
	8.116 12.410 13.728 90 114.19 90 P2_1/c
	atom x y z occ Uiso
	Ca0 .5393 .2571 .3142 .2 .015
	Sr0 .5393 .2571 .3142 .8 .015
	Cai .0120 .7417 .8229 .2 .015
	Sri .0120 .7417 .8229 .8 .015
	Si100 .2475 .4267 .3635 .012
	Si10i .7281 .9395 .8447 .012
	Al1z0 .2520 .4135 .8732 .014
	Al1zi .7399 .9518 .3602 .010
	Al200 .9410 .3890 .4291 .011
	Al20i .4274 .8679 .9164 .011
	Si2z0 .9393 .3521 .9351 .012
	Si2zi .4207 .8726 .4235 .012
	OA10 .2652 .3856 .2532 .013
	OA1i .7568 .8757 .7506 .019
	OA20 .8621 .2711 .4515 .025
	OA2i .3275 .7406 .8725 .023
	OB00 .0638 .3729 .3516 .019
	OB0i .5478 .8832 .8410 .027
	OBz0 .0571 .3506 .8671 .023
	OBzi .5575 .8982 .3700 .027
	OC00 .2373 .5578 .3785 .021
	OC0i .7217 .0710 .8394 .029
	OCz0 .2521 .5498 .8946 .025
	OCzi .7545 .0951 .3674 .018
	OD00 .4333 .3764 .4524 .025
	OD0i .9077 .9128 .9466 .039
	ODz0 .4647 .3613 .9510 .018
	ODzi .9423 .8911 .4473 .018
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 0.0001 GPa
	_database_code_amcsd 0004454
	11.4586 11.4586 11.4586 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0112
	Al 0 0 0 .0056
	Si .375 0 .25 .0057
	O .0338 .0506 .6528
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 1.80 GPa
	_database_code_amcsd 0004455
	11.4264 11.4264 11.4264 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0060
	Al 0 0 0 .0062
	Si .375 0 .25 .0093
	O .0339 .0509 .6529
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 2.78 GPa
	_database_code_amcsd 0004456
	11.4063 11.4063 11.4063 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0086
	Al 0 0 0 .0052
	Si .375 0 .25 .0064
	O .0337 .0519 .6525
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 2.99 GPa
	_database_code_amcsd 0004457
	11.3956 11.3956 11.3956 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0091
	Al 0 0 0 .0040
	Si .375 0 .25 .0068
	O .0333 .0514 .6525
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 4.77 GPa
	_database_code_amcsd 0004458
	11.3692 11.3692 11.3692 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0089
	Al 0 0 0 .0041
	Si .375 0 .25 .0074
	O .0335 .05272 .6523
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 4.84 GPa
	_database_code_amcsd 0004459
	11.3660 11.3660 11.3660 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0097
	Al 0 0 0 .0059
	Si .375 0 .25 .0067
	O .0336 .0516 .6528
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 6.55 GPa
	_database_code_amcsd 0004460
	11.3351 11.3351 11.3351 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0092
	Al 0 0 0 .0051
	Si .375 0 .25 .0064
	O .0334 .0526 .6527
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 7.01 GPa
	_database_code_amcsd 0004461
	11.3262 11.3262 11.3262 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0083
	Al 0 0 0 .0049
	Si .375 0 .25 .0062
	O .0333 .0526 .6524
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 7.25 GPa
	_database_code_amcsd 0004462
	11.3255 11.3255 11.3255 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0078
	Al 0 0 0 .0040
	Si .375 0 .25 .0054
	O .0330 .0527 .6522
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	Co3Al2Si3O12
	Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T,
	Olsen L A
	American Mineralogist 92 (2007) 1616-1623
	High-pressure optical spectroscopy and X-ray diffraction studies
	on synthetic cobalt aluminum silicate garnet
	Locality: Synthetic
	Sample: P = 7.40 GPa
	_database_code_amcsd 0004463
	11.3200 11.3200 11.3200 90 90 90 Ia-3d
	atom x y z Uiso
	Co .125 0 .25 .0089
	Al 0 0 0 .0042
	Si .375 0 .25 .0074
	O .0330 .0529 .6528
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 0.0001 GPa, in air, ordered
	_database_code_amcsd 0004464
	8.0888 8.0888 8.0888 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .85 .0047
	AlA .125 .125 .125 .15 .0047
	AlB .5 .5 .5 .925 .0037
	MgB .5 .5 .5 .075 .0037
	O .26332 .26332 .26332 .0049
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 0.0001 GPa, in DAC, ordered
	_database_code_amcsd 0004465
	8.0961 8.0961 8.0961 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .85 .0053
	AlA .125 .125 .125 .15 .0053
	AlB .5 .5 .5 .925 .0036
	MgB .5 .5 .5 .075 .0036
	O .2630 .2630 .2630 .0051
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 0.44 GPa, ordered
	_database_code_amcsd 0004466
	8.0864 8.0864 8.0864 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .85 .0070
	AlA .125 .125 .125 .15 .0070
	AlB .5 .5 .5 .925 .0068
	MgB .5 .5 .5 .075 .0068
	O .2637 .2637 .2637 .0100
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 2.92 GPa, ordered
	_database_code_amcsd 0004467
	8.0494 8.0494 8.0494 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .85 .0067
	AlA .125 .125 .125 .15 .0067
	AlB .5 .5 .5 .925 .0060
	MgB .5 .5 .5 .075 .0060
	O .2634 .2634 .2634 .0074
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 7.34 GPa, ordered
	_database_code_amcsd 0004468
	7.9996 7.9996 7.9996 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .85 .0081
	AlA .125 .125 .125 .15 .0081
	AlB .5 .5 .5 .925 .0068
	MgB .5 .5 .5 .075 .0068
	O .2629 .2629 .2629 .0087
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 8.03 GPa, ordered
	_database_code_amcsd 0004469
	7.9921 7.9921 7.9921 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .85 .0097
	AlA .125 .125 .125 .15 .0097
	AlB .5 .5 .5 .925 .0094
	MgB .5 .5 .5 .075 .0094
	O .2633 .2633 .2633 .0100
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 0.0001 GPa, in air, disordered
	_database_code_amcsd 0004470
	8.0849 8.0849 8.0849 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .73 .0038
	AlA .125 .125 .125 .27 .0038
	AlB .5 .5 .5 .865 .0041
	MgB .5 .5 .5 .135 .0041
	O .26166 .26166 .26166 .0078
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 0.0001 GPa, in DAC, disordered
	_database_code_amcsd 0004471
	8.0899 8.0899 8.0899 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .73 .0050
	AlA .125 .125 .125 .27 .0050
	AlB .5 .5 .5 .865 .0051
	MgB .5 .5 .5 .135 .0051
	O .2614 .2614 .2614 .0094
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 0.440 GPa, disordered
	_database_code_amcsd 0004472
	8.0801 8.0801 8.0801 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .73 .0062
	AlA .125 .125 .125 .27 .0062
	AlB .5 .5 .5 .865 .0060
	MgB .5 .5 .5 .135 .0060
	O .2615 .2615 .2615 .0110
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 2.924 GPa, disordered
	_database_code_amcsd 0004473
	8.0451 8.0451 8.0451 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .73 .0056
	AlA .125 .125 .125 .27 .0056
	AlB .5 .5 .5 .865 .0063
	MgB .5 .5 .5 .135 .0063
	O .2614 .2614 .2614 .0094
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 7.342 GPa, disordered
	_database_code_amcsd 0004474
	7.9928 7.9928 7.9928 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .73 .0038
	AlA .125 .125 .125 .27 .0038
	AlB .5 .5 .5 .865 .0043
	MgB .5 .5 .5 .135 .0043
	O .2612 .2612 .2612 .0081
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	Spinel
	Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A
	American Mineralogist 92 (2007) 1838-1843
	Comparative compressibility and structural behavior of spinel MgAl2O4 at high
	pressures: the independency on the degree of cation order
	Locality: Sri Lanka
	Sample: P = 8.027 GPa, disordered
	_database_code_amcsd 0004475
	7.9874 7.9874 7.9874 90 90 90 *Fd3m
	.125 .125 .125
	atom x y z occ Uiso
	MgA .125 .125 .125 .73 .0041
	AlA .125 .125 .125 .27 .0041
	AlB .5 .5 .5 .865 .0051
	MgB .5 .5 .5 .135 .0051
	O .2613 .2613 .2613 .0094
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 0 GPa, in air
	_database_code_amcsd 0004556
	18.2889 8.8662 5.2175 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37965 .48140 .36168 .818 .0084
	MgM2 .37965 .48140 .36168 .156 .0084
	CaM2 .37965 .48140 .36168 .010 .0084
	MnM2 .37965 .48140 .36168 .016 .0084
	Fe2+M1 .37580 .65423 .8690 .081 .0074
	MgM1 .37580 .65423 .8690 .767 .0074
	AlM1 .37580 .65423 .8690 .084 .0074
	Fe3+M1 .37580 .65423 .8690 .068 .0074
	SiTA .27129 .34091 .0482 .0056
	SiTB .47336 .33616 .8012 .848 .0060
	AlTB .47336 .33616 .8012 .152 .0060
	O1A .18322 .3375 .0412 .0081
	O2A .31104 .5017 .0506 .0092
	O3A .30213 .2314 -.1800 .0090
	O1B .56311 .3355 .8031 .0082
	O2B .43341 .4855 .6953 .0096
	O3B .44655 .3027 .1038 .0101
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 0 GPa, in air, same # of reflections as DAC crystal
	_database_code_amcsd 0004557
	18.2889 8.8662 5.2175 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37962 .48150 .3618 .818 .0086
	MgM2 .37962 .48150 .3618 .156 .0086
	CaM2 .37962 .48150 .3618 .010 .0086
	MnM2 .37962 .48150 .3618 .016 .0086
	Fe2+M1 .37582 .65443 .86913 .081 .0066
	MgM1 .37582 .65443 .86913 .767 .0066
	AlM1 .37582 .65443 .86913 .084 .0066
	Fe3+M1 .37582 .65443 .86913 .068 .0066
	SiTA .27142 .3411 .0480 .00564
	SiTB .47330 .3366 .8012 .848 .0059
	AlTB .47330 .3366 .8012 .152 .0059
	O1A .1832 .3382 .0405 .0079
	O2A .3111 .5014 .0514 .0097
	O3A .3021 .2317 -.1798 .0090
	O1B .5631 .3350 .8033 .0087
	O2B .4335 .4851 .6953 .0088
	O3B .4466 .3026 .1044 .0114
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 0.163 GPa
	_database_code_amcsd 0004558
	18.2804 8.8601 5.2161 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37962 .4811 .3614 .818 .0110
	MgM2 .37962 .4811 .3614 .156 .0110
	CaM2 .37962 .4811 .3614 .010 .0110
	MnM2 .37962 .4811 .3614 .016 .0110
	Fe2+M1 .37577 .6542 .8687 .081 .0110
	MgM1 .37577 .6542 .8687 .767 .0110
	AlM1 .37577 .6542 .8687 .084 .0110
	Fe3+M1 .37577 .6542 .8687 .068 .0110
	SiTA .27140 .3406 .0479 .0058
	SiTB .47332 .3361 .8030 .848 .0068
	AlTB .47332 .3361 .8030 .152 .0068
	O1A .1830 .3370 .0401 .0086
	O2A .3112 .5012 .0502 .0096
	O3A .3021 .2326 -.181 .0086
	O1B .5626 .3351 .8044 .0096
	O2B .4335 .4857 .6913 .0108
	O3B .4464 .3030 .1008 .0094
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 1.715 GPa
	_database_code_amcsd 0004559
	18.2192 8.8111 5.1965 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37964 .4803 .3588 .818 .0109
	MgM2 .37964 .4803 .3588 .156 .0109
	CaM2 .37964 .4803 .3588 .010 .0109
	MnM2 .37964 .4803 .3588 .016 .0109
	Fe2+M1 .37578 .6552 .8664 .081 .0103
	MgM1 .37578 .6552 .8664 .767 .0103
	AlM1 .37578 .6552 .8664 .084 .0103
	Fe3+M1 .37578 .6552 .8664 .068 .0103
	SiTA .27127 .3410 .0448 .0064
	SiTB .47318 .3365 .8037 .848 .0066
	AlTB .47318 .3365 .8037 .152 .0066
	O1A .1832 .3370 .0370 .009
	O2A .3107 .5028 .0452 .010
	O3A .3026 .2325 -.185 .009
	O1B .5624 .3352 .8072 .008
	O2B .4337 .4868 .6926 .012
	O3B .4460 .3043 .1032 .010
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 3.947 GPa
	_database_code_amcsd 0004560
	18.1427 8.7460 5.1716 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37963 .4792 .3568 .818 .0100
	MgM2 .37963 .4792 .3568 .156 .0100
	CaM2 .37963 .4792 .3568 .010 .0100
	MnM2 .37963 .4792 .3568 .016 .0100
	Fe2+M1 .37582 .6559 .8644 .081 .0099
	MgM1 .37582 .6559 .8644 .767 .0099
	AlM1 .37582 .6559 .8644 .084 .0099
	Fe3+M1 .37582 .6559 .8644 .068 .0099
	SiTA .27112 .3418 .0403 .0061
	SiTB .47292 .3367 .8048 .848 .0064
	AlTB .47292 .3367 .8048 .152 .0064
	O1A .1825 .3373 .0338 .009
	O2A .3099 .5053 .0423 .011
	O3A .3027 .2330 -.188 .008
	O1B .5625 .3351 .8069 .008
	O2B .4340 .4879 .6916 .011
	O3B .4453 .3058 .1077 .009
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 8.033 GPa
	_database_code_amcsd 0004561
	18.0221 8.6456 5.1327 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37954 .4777 .3544 .818 .0089
	MgM2 .37954 .4777 .3544 .156 .0089
	CaM2 .37954 .4777 .3544 .010 .0089
	MnM2 .37954 .4777 .3544 .016 .0089
	Fe2+M1 .37601 .6572 .8612 .081 .0094
	MgM1 .37601 .6572 .8612 .767 .0094
	AlM1 .37601 .6572 .8612 .084 .0094
	Fe3+M1 .37601 .6572 .8612 .068 .0094
	SiTA .27097 .3430 .0350 .0056
	SiTB .47284 .3374 .8057 .848 .0063
	AlTB .47284 .3374 .8057 .152 .0063
	O1A .1821 .3376 .0286 .008
	O2A .3090 .5085 .0390 .010
	O3A .3037 .2328 -.195 .008
	O1B .5625 .3355 .8118 .009
	O2B .4344 .4897 .6886 .011
	O3B .4447 .3066 .1090 .009
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	Orthopyroxene
	Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A
	American Mineralogist 93 (2008) 644-652
	The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene
	Sample: P = 9.562 GPa
	_database_code_amcsd 0004562
	17.9770 8.6100 5.1227 90 90 90 Pbca
	atom x y z occ Uiso
	Fe2+M2 .37946 .4772 .3536 .818 .0085
	MgM2 .37946 .4772 .3536 .156 .0085
	CaM2 .37946 .4772 .3536 .010 .0085
	MnM2 .37946 .4772 .3536 .016 .0085
	Fe2+M1 .3762 .6579 .8598 .081 .0095
	MgM1 .3762 .6579 .8598 .767 .0095
	AlM1 .3762 .6579 .8598 .084 .0095
	Fe3+M1 .3762 .6579 .8598 .068 .0095
	SiTA .2709 .3431 .0337 .0058
	SiTB .4728 .3375 .8059 .848 .0064
	AlTB .4728 .3375 .8059 .152 .0064
	O1A .1819 .3376 .0312 .006
	O2A .3088 .5093 .0368 .010
	O3A .3037 .2336 -.197 .009
	O1B .5627 .3352 .8118 .008
	O2B .4347 .4898 .6876 .011
	O3B .4447 .3072 .1107 .008
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	Vurroite
	Pinto D, Bonaccorsi E, Balic-Zunic T, Makovicky E
	American Mineralogist 93 (2008) 713-727
	The crystal structure of vurroite, Pb20Sn2(Bi,As)22S54Cl6: OD-character,
	polytypism, twinning, and modular description
	Locality: Vulcano, Aeolian Islands, Italy
	_database_code_amcsd 0004570
	8.371 45.502 27.273 90 98.83 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	PbM1 .3838 .12038 .50934 .0486 .045 .059 .0410 .006 .003 -.0032
	PbM2 .8798 .11928 .50973 .0507 .049 .060 .0428 .013 .004 -.0049
	PbM3 .3037 .07225 .36465 .0577 .045 .049 .077 -.0009 .006 -.0146
	PbM4 .8105 .07164 .36639 .0552 .045 .049 .069 -.002 .003 -.013
	PbM5 .3094 .16778 .36618 .0567 .050 .050 .072 -.001 .013 .0202
	PbM6 .8079 .16868 .36905 .0581 .046 .050 .078 -.003 .008 .0238
	PbM7 .7387 .99299 .74970 .80 .0607 .040 .097 .0457 -.014 .008 -.003
	BiM7 .7387 .99299 .74970 .20 .0607 .040 .097 .0457 -.014 .008 -.003
	PbM8 .7385 .22831 .25004 .60 .0437 .038 .0541 .0396 -.0054 .007 -.0007
	BiM8 .7385 .22831 .25004 .40 .0437 .038 .0541 .0396 -.0054 .007 -.0007
	PbM9 .9617 .09124 .66089 .0583 .049 .065 .060 -.006 .006 .0076
	PbM10 .4553 .09208 .6680 .0845 .077 .076 .1140 -.002 .041 -.010
	PbM11 .2326 .1776 .7445 .2 .0241
	BiM11 .2396 .1635 .7444 .3 .0241
	AsM11 .244 .1524 .7521 .5 .0241
	SnM12 .0295 .12079 .2499 .36 .042
	BiM12 .0295 .12079 .2499 .14 .042
	SnM13 .5409 .12114 .2501 .36 .040
	BiM13 .5409 .12114 .2501 .14 .040
	BiM14 .5606 .25453 .37186 .0387 .036 .0406 .0411 -.006 .009 -.0070
	AsM15 .4301 .25011 .6298 .037 .031 .028 .054 .007 .010 -.001
	BiM16 .1190 .21064 .49487 .0594 .049 .088 .0438 -.005 .013 -.0017
	AsM17 .6252 .20655 .4864 .0299 .031 .017 .047 .006 .023 .006
	AsM18 .195 .1689 .6129 .81 .025
	BiM18 .194 .1696 .6289 .19 .025
	BiM19 .6726 .16939 .61481 .0632 .057 .079 .054 -.010 .006 -.0108
	AsM20 .131 .0434 .5049 .62 .045
	BiM20 .128 .0411 .4997 .38 .045
	BiM21 .6265 .04028 .49896 .0437 .048 .0405 .0435 -.002 .010 -.0005
	AsM22 .930 .0088 .6278 .78 .028
	BiM22 .947 .009 .6114 .22 .028
	BiM23 .4306 .00887 .62198 .0536 .052 .060 .0454 .003 -.003 .0066
	S1 .172 .1181 .5939 .9643 .029
	ClS1 .172 .1181 .5939 .0357 .029
	S2 .664 .1147 .5847 .9643 .032
	ClS2 .664 .1147 .5847 .0357 .032
	S3 .096 .0854 .4484 .9643 .030
	ClS3 .096 .0854 .4484 .0357 .030
	S4 .600 .0885 .4509 .9643 .027
	ClS4 .600 .0885 .4509 .0357 .027
	S5 .105 .1603 .4476 .9643 .019
	ClS5 .105 .1603 .4476 .0357 .019
	S6 .609 .1603 .4556 .9643 .031
	ClS6 .609 .1603 .4556 .0357 .031
	S7 .456 .2929 .6726 .9643 .028
	ClS7 .456 .2929 .6726 .0357 .028
	S8 .542 .2059 .3204 .9643 .023
	ClS8 .542 .2059 .3204 .0357 .023
	S9 .040 .1209 .3418 .9643 .029
	ClS9 .040 .1209 .3418 .0357 .029
	S10 .535 .1213 .3419 .9643 .033
	ClS10 .535 .1213 .3419 .0357 .033
	S11 .044 .0338 .3236 .9643 .032
	ClS11 .044 .0338 .3236 .0357 .032
	S12 .460 .9647 .6828 .9643 .027
	ClS12 .460 .9647 .6828 .0357 .027
	S13 .763 .0817 .2498 .9643 .034
	ClS13 .763 .0817 .2498 .0357 .034
	S14 .760 .1602 .2492 .9643 .035
	ClS14 .760 .1602 .2492 .0357 .035
	S15 .369 .0606 .5512 .9643 .031
	ClS15 .369 .0606 .5512 .0357 .031
	S16 .935 .0615 .5523 .9643 .035
	ClS16 .935 .0615 .5523 .0357 .035
	S17 .621 .9818 .5659 .9643 .038
	ClS17 .621 .9818 .5659 .0357 .038
	S18 .808 .0180 .4326 .9643 .026
	ClS18 .808 .0180 .4326 .0357 .026
	S19 .756 .0350 .6684 .9643 .040
	ClS19 .756 .0350 .6684 .0357 .040
	S20 .160 .0345 .6696 .9643 .035
	ClS20 .160 .0345 .6696 .0357 .035
	S21 .263 .2285 .6726 .9643 .026
	ClS21 .263 .2285 .6726 .0357 .026
	S22 .660 .2280 .6722 .9643 .028
	ClS22 .660 .2280 .6722 .0357 .028
	S23 .392 .2273 .4410 .9643 .030
	ClS23 .392 .2273 .4410 .0357 .030
	S24 .798 .2259 .4406 .9643 .028
	ClS24 .798 .2259 .4406 .0357 .028
	S25 .358 .1844 .5599 .9643 .032
	ClS25 .358 .1844 .5599 .0357 .032
	S26 .952 .1856 .5605 .9643 .031
	ClS26 .952 .1856 .5605 .0357 .031
	S27 .926 .1563 .6817 .9643 .034
	ClS27 .926 .1563 .6817 .0357 .034
	S28 .508 .1526 .6830 .9643 .031
	ClS28 .508 .1526 .6830 .0357 .031
	Cl1 .5 .0372 .75 .032
	Cl2 0 .2259 .75 .034
	Cl3 .2420 .1024 .7423 .029
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	Heyrovskyite
	Pinto D, Balic-Zunic T, Garavelli A, Vurro F
	American Mineralogist 96 (2011) 1120-1128
	Structure refinement of Ag-free heyrovskyite from Vulcano (Aeolian Islands, Italy)
	Locality: La Fossa crater, Vulcano (Aeolian Islands, Italy)
	_database_code_amcsd 0018391
	13.7498 31.5053 4.1475 90 90 90 Bbmm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .42053 .25 0 .0501 .0366 .0807 .0329 0 0 0
	Pb2 .5 0 0 .72 .0193 .0201 .0206 .0173 .0005 0 0
	Bi2 .5 0 0 .28 .0193 .0201 .0206 .0173 .0005 0 0
	Pb3 .22858 .05814 0 .974 .0195 .0195 .0223 .0166 .0009 0 0
	Pb4 .18197 .17479 .5 .54 .0223 .0253 .0214 .0203 .0003 0 0
	Bi4 .18197 .17479 .5 .46 .0223 .0253 .0214 .0203 .0003 0 0
	Pb5 .45567 .11896 .5 .54 .02011 .0207 .0216 .0181 -.0004 0 0
	Bi5 .45567 .11896 .5 .46 .02011 .0207 .0216 .0181 -.0004 0 0
	S1 .0461 .19549 0 .91 .0250 .028 .022 .025 -.0016 0 0
	Se1 .0461 .19549 0 .09 .0250 .028 .022 .025 -.0016 0 0
	S2 .0877 .08542 .5 .0180 .021 .0173 .0160 .0010 0 0
	S3 .2803 .25 .5 .0239 .024 .023 .024 0 0 0
	S4 .3254 .14598 0 .94 .0271 .026 .037 .019 .0094 0 0
	Se4 .3254 .14598 0 .06 .0271 .026 .037 .019 .0094 0 0
	S5 .3614 .02677 .5 .0180 .015 .0251 .0133 .0001 0 0
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	Skinnerite
	Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 33 (1995) 655-663
	The crystal structure of skinnerite, P2_1/c-Cu3SbS3, from powder data
	_database_code_amcsd 0005434
	7.8142 10.2424 13.2726 90 90.294 90 P2_1/c
	atom x y z occ Biso
	Sb1 .2819 .247 .0591 3.5
	Sb2 .7788 .254 .1949 3.5
	Cu1 .653 .902 .202 4.9
	Cu2 .847 .108 .456 4.9
	Cu3 .203 .102 .327 6.0
	Cu4a .383 .923 .082 .5 5.7
	Cu4b .268 .888 .080 .5 4.1
	Cu5 .933 .976 .106 5.1
	Cu6 .567 .037 .364 3.9
	S1 .172 .073 .164 3.6
	S2 .665 .073 .085 1.4
	S3 .815 .933 .341 .9
	S4 .311 .936 .417 4.9
	S5 .937 .751 .075 2.7
	S6 .560 .258 .322 1.7
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Cu1.6Pb1.6Bi6.4S12
	Topa D, Balic-Zunic T, Makovicky E
	The Canadian Mineralogist 38 (2000) 611-616
	The crystal structure of Cu1.6Pb1.6Bi6.4S12, a new 44.8 Angstrom derivative of the
	bismuthinite-aikinite solid-solution series
	_database_code_amcsd 0005646
	4.0074 44.81 11.513 90 90 90 Pmc2_1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 0 .06361 .7982 .037 .039 .025 0 0 -.004
	Pb2 .5 .31075 .1624 .038 .032 .051 0 0 -.009
	Pb3 .5 .43703 .6634 .037 .044 .042 0 0 .013
	Bi1 .5 .01584 .4536 .026 .028 .025 0 0 .002
	Bi2 .0 .39060 .0091 .029 .035 .026 0 0 -.001
	Bi3 .0 .35861 .5042 .028 .036 .031 0 0 .007
	Bi4 .0 .14475 -.0009 .026 .026 .028 0 0 -.004
	Bi5 .5 .22969 .9590 .028 .025 .031 0 0 -.004
	Bi6 .5 .48024 .9714 .028 .030 .036 0 0 -.000
	Bi7 .5 .07147 .1293 .032 .033 .029 0 0 .005
	Bi8 .0 .30362 .8318 .034 .027 .044 0 0 -.008
	Bi9 .0 .44720 .3349 .036 .030 .025 0 0 -.009
	Bi10 .0 .10636 .4879 .027 .027 .023 0 0 .003
	Bi11 .5 .26746 .4706 .027 .030 .036 0 0 .004
	Bi12 .5 .17756 .6374 .030 .028 .033 0 0 .002
	Bi13 .0 .19673 .3208 .032 .043 .033 0 0 .008
	Cu1 .0 .00907 .2004 .71 .023 .011 .017 0 0 .003
	Cu2 .5 .38377 .2609 .99 .040 .042 .026 0 0 .001
	Cu3 .5 .36506 -.2392 .97 .036 .039 .022 0 0 .003
	Cu4 .5 .13758 .2360 .10 .030 0 0
	Cu5 .0 .23871 .7081 .10 .030 0 0
	S1 .0 .04743 .3507 .036 .021 .024 0 0 .003
	S2 .0 .03126 .0171 .021 .035 .020 0 0 .014
	S3 .0 .11069 .1938 .035 .012 .014 0 0 .007
	S4 .5 .17390 .1049 .016 .043 .040 0 0 .011
	S5 .5 .09749 .9309 .018 .031 .033 0 0 -.015
	S6 .5 .01444 .7576 .024 .025 .020 0 0 -.001
	S7 .5 .42267 .1144 .030 .023 .022 0 0 .010
	S8 .5 .34362 .9438 .030 .025 .022 0 0 -.009
	S9 .5 .26440 .7674 .025 .028 .027 0 0 -.007
	S10 .0 .20123 .8531 .039 .026 .012 0 0 -.011
	S11 .0 .27640 .0328 .032 .022 .022 0 0 .006
	S12 .0 .36002 .2060 .031 .028 .041 0 0 .008
	S13 .5 .32776 .6075 .022 .023 .030 0 0 .001
	S14 .5 .40576 .4409 .034 .024 .015 0 0 .008
	S15 .5 .48695 .2753 .028 .022 .019 0 0 .007
	S16 .0 .45007 .8685 .050 .018 .014 0 0 -.012
	S17 .0 .47274 .5386 .042 .030 .016 0 0 -.007
	S18 .0 .38868 .7039 .040 .011 .032 0 0 -.008
	S19 .5 .07648 .5895 .013 .029 .024 0 0 .002
	S20 .5 .15537 .4278 .016 .024 .027 0 0 .000
	S21 .5 .23728 .2720 .017 .022 .020 0 0 .005
	S22 .0 .29897 .3714 .059 .025 .023 0 0 -.002
	S23 .0 .21847 .5290 .036 .018 .025 0 0 -.006
	S24 .0 .13694 .6902 .027 .020 .033 0 0 -.007
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Neyite
	Makovicky E, Balic-Zunic T, Topa D
	The Canadian Mineralogist 39 (2001) 1365-1376
	The crystal structure of neyite, Ag2Cu6Pb25Bi26S68
	_database_code_amcsd 0005753
	37.527 4.0705 43.701 90 108.801 90 C2/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)
	Bi1 .09485 0 .94977 .87 .02658 .02940 .02369 .02781 0 .01082 0
	Pb1 .09485 0 .94977 .13 .02658 .02940 .02369 .02781 0 .01082 0
	Bi2 .43197 0 .13675 .76 .02881 .03259 .02462 .02950 0 .01038 0
	Pb2 .43197 0 .13675 .24 .02881 .03259 .02462 .02950 0 .01038 0
	Pb3 .31775 0 .07448 .03058 .03180 .02571 .03291 0 .00858 0
	Bi4 .20505 0 .01414 .40 .02819 .03017 .02364 .02947 0 .00783 0
	Pb4 .20505 0 .01414 .60 .02819 .03017 .02364 .02947 0 .00783 0
	Bi5 .04111 0 .77668 .62 .02845 .02971 .02479 .03062 0 .00939 0
	Pb5 .04111 0 .77668 .38 .02845 .02971 .02479 .03062 0 .00939 0
	Pb6 .15591 0 .83870 .58 .02825 .03044 .02626 .02916 0 .01113 0
	Bi6 .15591 0 .83870 .32 .02825 .03044 .02626 .02916 0 .01113 0
	Ag6 .15591 0 .83870 .096 .02825 .03044 .02626 .02916 0 .01113 0
	Pb7 .27003 0 .90052 .56 .03155 .03404 .02748 .03314 0 .01085 0
	Bi7 .27003 0 .90052 .44 .03155 .03404 .02748 .03314 0 .01085 0
	Bi8 .48389 0 .30940 .02746 .02786 .02338 .03039 0 .00837 0
	Pb9 .37102 0 .24759 .69 .02893 .02831 .02491 .03309 0 .00922 0
	Bi9 .37102 0 .24759 .21 .02893 .02831 .02491 .03309 0 .00922 0
	Ag9 .37102 0 .24759 .105 .02893 .02831 .02491 .03309 0 .00922 0
	Bi10 .25656 0 .18688 .67 .02984 .03329 .02543 .03106 0 .01075 0
	Pb10 .25656 0 .18688 .33 .02984 .03329 .02543 .03106 0 .01075 0
	Bi11 .09861 0 .66520 .74 .03115 .03421 .02729 .03160 0 .01014 0
	Pb11 .09861 0 .66520 .06 .03115 .03421 .02729 .03160 0 .01014 0
	Ag11 .09861 0 .66520 .199 .03115 .03421 .02729 .03160 0 .01014 0
	Bi12 .21150 0 .72539 .90 .02773 .03095 .02523 .02981 0 .01366 0
	Pb12 .21150 0 .72539 .10 .02773 .03095 .02523 .02981 0 .01366 0
	Bi13 .40313 0 .52831 .73 .02594 .02756 .02246 .02770 0 .00876 0
	Pb13 .40313 0 .52831 .27 .02594 .02756 .02246 .02770 0 .00876 0
	Pb14 .29628 0 .54313 .03116 .03273 .02698 .03488 0 .01244 0
	Bi15 .18405 0 .53673 .97 .02661 .02807 .02379 .02739 0 .00811 0
	Pb15 .18405 0 .53673 .03 .02661 .02807 .02379 .02739 0 .00811 0
	Bi16 .08231 0 .55326 .62 .03150 .03376 .02467 .04061 0 .01830 0
	Pb16 .08231 0 .55326 .24 .03150 .03376 .02467 .04061 0 .01830 0
	Ag16 .08231 0 .55326 .137 .03150 .03376 .02467 .04061 0 .01830 0
	Bi17 .37470 0 .85626 .94 .03317 .03488 .02888 .03594 0 .01166 0
	Pb17 .37470 0 .85626 .06 .03317 .03488 .02888 .03594 0 .01166 0
	Pb18 .33236 0 .75102 .03455 .03931 .02629 .03668 0 .01034 0
	Bi19 .31808 0 .65130 .03024 .03385 .02470 .03407 0 .01360 0
	Bi20 .02902 0 .08656 .03698 .04216 .02745 .03636 0 .00574 0
	Bi21 .06808 0 .19264 .03264 .03612 .02708 .03431 0 .01078 0
	Pb22 .07804 0 .28881 .03963 .05235 .02915 .03493 0 .01064 0
	Pb23 .10255 0 .38733 .03113 .03386 .02364 .03605 0 .01148 0
	Pb24 .38789 0 .95725 .04788 .05105 .03752 .04466 0 .00092 0
	Pb25 .00264 0 .41019 .04144 .03531 .03068 .05300 0 .00681 0
	Pb26 .32008 0 .37164 .04614 .04594 .03660 .05878 0 .02089 0
	Ag1 .50000 0 .50000 .05817 .05235 .08567 .03271 0 .00844 0
	Cu1 .46888 0 .01065 .04445 .03832 .04203 .04918 0 .00881 0
	Cu2 .23194 0 .30895 .04397 .03775 .03468 .05888 0 .01476 0
	Cu3 .74956 0 .59064 .04124 .03167 .03338 .05584 0 .01017 0
	S1 .06509 0 -.00405 .02532 .03437 .02061 .02830 0 .02029 0
	S2 .45381 0 .08328 .02675 .02563 .02987 .02693 0 .01151 0
	S3 .35138 0 .01729 .03397 .02988 .02977 .03741 0 .00411 0
	S4 .02053 0 .83397 .03138 .02788 .02845 .03684 0 .00907 0
	S5 .12798 0 .89323 .02959 .02887 .02965 .03067 0 .01017 0
	S6 .24064 0 .95702 .03191 .03161 .03263 .03362 0 .01346 0
	S7 .49131 0 .74704 .03316 .02811 .03496 .03601 0 .00979 0
	S8 .39963 0 .19231 .02885 .02930 .02925 .03025 0 .01275 0
	S9 .28778 0 .12866 .02820 .03069 .02694 .02876 0 .01204 0
	S10 .17830 0 .06508 .02925 .02837 .02279 .04126 0 .01771 0
	S11 .03077 0 .33529 .02974 .02492 .02256 .03777 0 .00457 0
	S12 .07383 0 .72412 .02869 .02480 .02734 .03125 0 .00530 0
	S13 .18465 0 .78494 .03052 .03292 .02875 .03438 0 .01708 0
	S14 .29140 0 .84375 .03138 .02667 .03315 .03760 0 .01492 0
	S15 .45320 0 .35905 .02913 .02479 .03417 .02797 0 .00785 0
	S16 .34311 0 .30519 .03231 .02638 .02703 .03696 0 .00106 0
	S17 .23804 0 .24290 .02744 .02606 .02601 .02953 0 .00797 0
	S18 .05158 0 .47919 .02700 .02802 .02600 .02709 0 .00904 0
	S19 .14986 0 .46080 .02673 .02996 .02623 .02506 0 .01033 0
	S20 .26838 0 .47394 .02683 .02964 .02589 .02856 0 .01438 0
	S21 .36281 0 .45286 .03213 .02871 .01965 .05161 0 .01793 0
	S22 .46661 0 .44262 .03283 .03523 .03165 .03123 0 .01018 0
	S23 .10346 0 .09562 .03138 .03551 .02531 .03297 0 .01055 0
	S24 .13871 0 .19270 .02656 .02688 .02404 .02803 0 .00784 0
	S25 .16670 0 .29547 .03067 .02870 .02890 .03290 0 .00784 0
	S26 .18636 0 .39239 .02860 .02668 .03133 .02923 0 .01101 0
	S27 .47100 0 .95417 .02799 .02853 .02457 .03150 0 .01053 0
	S28 .44556 0 .85669 .02828 .02891 .02503 .03177 0 .01099 0
	S29 .40732 0 .76003 .02674 .02768 .02508 .02912 0 .01145 0
	S30 .39053 0 .66252 .02477 .02958 .02170 .02377 0 .00963 0
	S31 .44003 0 .59079 .02500 .02516 .02205 .02852 0 .00964 0
	S32 .22310 0 .59748 .02534 .02695 .02212 .02742 0 .00945 0
	S33 .12364 0 .61611 .03074 .02472 .03417 .03490 0 .01179 0
	S34 .23842 0 .67783 .02872 .03210 .02711 .03117 0 .01607 0
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	Paarite
	Makovicky E, Topa D, Balic-Zunic T
	The Canadian Mineralogist 39 (2001) 1377-1382
	The crystal structure of paarite, the newly discovered 56 A derivative
	of the bismuthinite-aikinite solid-solution series
	_database_code_amcsd 0005754
	4.0070 55.998 11.512 90 90 90 Pmcn
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 .75 .06455 .5074 .0418 .0398 .0420 .0437 0 0 .0039
	Bi2 .25 .00787 .6575 .0438 .0434 .0447 .0433 0 0 .0017
	Bi3 .75 .03372 .0209 .0405 .0393 .0395 .0428 0 0 .0022
	Bi4 .25 .16240 -.0290 .0427 .0410 .0468 .0404 0 0 .0013
	Bi5 .25 .09265 .1476 .0449 .0454 .0432 .0462 0 0 -.0031
	Bi6 .75 .23416 .0081 .0419 .0397 .0435 .0426 0 0 .0045
	Bi7 .25 .13711 .4743 .0423 .0403 .0473 .0393 0 0 .0027
	Bi8 .25 .29219 .1460 .0447 .0451 .0477 .0413 0 0 -.0045
	Pb1 .75 .09871 .8171 .0489 .0503 .0493 .0470 0 0 .0046
	Pb2 .75 .19974 .3167 .0483 .0484 .0496 .0470 0 0 .0057
	Cu1 .75 .15692 .7192 .048 .050 .055 .041 0 0 .000
	Cu2 .75 .14191 .2197 .050 .052 .052 .044 0 0 .004
	S1 .25 .0892 .6086 .040 .049 .036 .036 0 0 .000
	S2 .25 .0252 .4484 .039 .040 .044 .034 0 0 -.003
	S3 .75 .0402 .7084 .038 .039 .031 .043 0 0 .005
	S4 .25 .0104 .1270 .041 .039 .049 .034 0 0 .004
	S5 .25 .0714 .9480 .038 .035 .046 .033 0 0 .004
	S6 .25 .1379 .7723 .039 .043 .033 .042 0 0 -.001
	S7 .75 .1881 .8673 .040 .046 .032 .042 0 0 -.001
	S8 .75 .1252 .0362 .043 .042 .049 .036 0 0 .003
	S9 .75 .0613 .2126 .039 .041 .036 .039 0 0 .005
	S10 .25 .2103 .1101 .039 .043 .028 .045 0 0 .004
	S11 .25 .2281 .4437 .040 .045 .029 .044 0 0 .002
	S12 .25 .1609 .2748 .039 .040 .043 .034 0 0 -.001
	S13 .75 .1120 .3727 .039 .044 .035 .037 0 0 -.007
	S14 .75 .1751 .5372 .041 .045 .038 .039 0 0 -.001
	S15 .75 .2394 .7058 .039 .041 .039 .037 0 0 -.008
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	Emilite
	Balic-Zunic T, Topa D, Makovicky E
	The Canadian Mineralogist 40 (2002) 239-245
	The crystal structure of emilite, Cu10.7Pb10.7Bi21.3S48, the second 45
	angstrom derivative of the bismuthinite-aikinite solid-solution series
	_database_code_amcsd 0005769
	4.0285 44.986 11.599 90 90 90 Pmc2_1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 0 .14354 .4003 .0301 .030 .027 .034 0 0 -.005
	Bi2 .5 -.01589 .3608 .0295 .031 .030 .027 0 0 -.001
	Bi3 .5 .07152 .5363 .0365 .035 .041 .033 0 0 -.001
	Bi4 0 .10499 .8982 .0310 .029 .028 .036 0 0 .003
	Bi5 .5 .26488 .8645 .0299 .033 .026 .031 0 0 .002
	Bi6 .5 .17709 .0368 .0366 .036 .033 .041 0 0 .001
	Bi7 .5 .51934 .8652 .0293 .031 .023 .033 0 0 .003
	Bi8 0 .35944 .8998 .0324 .031 .035 .032 0 0 .002
	Bi9 0 .44729 .7272 .0378 .040 .026 .048 0 0 -.002
	Bi10 .5 .23178 .3614 .0288 .030 .026 .030 0 0 .000
	Bi11 0 .39190 .4033 .0294 .030 .024 .035 0 0 .000
	Pb1 0 .06241 .2050 .0335 .038 .036 .026 0 0 -.003
	Pb2 0 .18685 .7081 .0389 .041 .030 .045 0 0 .008
	Pb3 .5 .43728 .0540 .0373 .039 .028 .045 0 0 .004
	Pb4 .5 .31476 .5495 .0375 .038 .025 .049 0 0 .000
	Pb5 0 .30960 .2145 .0394 .040 .022 .057 0 0 -.003
	Cu1 0 .0100 .6080 .025 .021 .050 .006 0 0 -.003
	Cu2 0 .2594 .6160 .036 .038 .031 .040 0 0 -.002
	Cu3 .5 .3652 .1472 .048 .058 .022 .064 0 0 .011
	Cu4 .5 .3858 .6530 .046 .059 .023 .056 0 0 -.013
	Cu5 0 .2387 .1100 .035 .038 .028 .040 0 0 .002
	Cu6 0 .4882 .112 .36 .04
	Cu7 .5 .1335 .656 .34 .04
	Cu8 .5 .1114 .150 .29 .04
	S1 .5 .1727 .500 .027
	S2 .5 .0975 .334 .029
	S3 .5 .0139 .163 .020
	S4 0 -.0469 .256 .022
	S5 0 .0305 .425 .028
	S6 0 .1108 .594 .023
	S7 .5 .0747 .001 .030
	S8 .5 .1512 .834 .026
	S9 .5 .2348 .668 .024
	S10 0 .2962 .766 .020
	S11 0 .2181 .927 .022
	S12 0 .1367 .093 .019
	S13 0 .5491 .763 .028
	S14 0 .4719 .932 .033
	S15 0 .3881 .094 .034
	S16 .5 .3264 .999 .038
	S17 .5 .4059 .836 .040
	S18 .5 .4869 .667 .031
	S19 0 .2003 .255 .023
	S20 0 .2772 .428 .027
	S21 0 .3613 .597 .027
	S22 .5 .4228 .504 .038
	S23 .5 .3464 .339 .031
	S24 .5 .2617 .167 .025
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	Gladite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 40 (2002) 1147-1159
	The structural role of excess Cu and Pb in gladite and krupkaite
	based on new refinements of their structure
	Sample: bd33
	_database_code_amcsd 0005780
	4.0044 33.575 11.480 90 90 90 Pmcn
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 .25 .39201 .50696 .0421 .0388 .0442 .0432 0 0 .0040
	Bi2 .75 .48687 .65683 .0434 .0434 .0456 .0412 0 0 -.0007
	Bi3 .25 .05623 .52112 .0415 .0388 .0412 .0444 0 0 .0030
	Bi4 .75 .27078 .47365 .0424 .0399 .0470 .0404 0 0 .0021
	Bi5 .75 .15429 .64885 .0439 .0438 .0447 .0432 0 0 -.0031
	Pb .25 .16511 .31833 .0485 .0477 .0512 .0468 0 0 .0049
	Cu .25 .23783 .7205 .0490 .048 .055 .043 0 0 -.002
	S1 .75 .3516 .6086 .040 .043 .038 .039 0 0 .004
	S2 .75 .4581 .4482 .039 .039 .039 .039 0 0 .000
	S3 .25 .4333 .7088 .037 .037 .035 .039 0 0 -.001
	S4 .75 .0178 .6279 .041 .040 .040 .042 0 0 .002
	S5 .75 .1190 .4484 .039 .038 .038 .040 0 0 .002
	S6 .75 .2306 .2743 .039 .039 .038 .038 0 0 .000
	S7 .25 .3132 .3714 .040 .043 .037 .041 0 0 -.001
	S8 .25 .2081 .5379 .040 .041 .044 .037 0 0 .000
	S9 .25 .1023 .7130 .037 .037 .037 .039 0 0 -.001
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	Gladite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 40 (2002) 1147-1159
	The structural role of excess Cu and Pb in gladite and krupkaite
	based on new refinements of their structure
	Sample: bd39
	_database_code_amcsd 0005781
	4.0100 33.589 11.502 90 90 90 Pmcn
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 .25 .39243 .50808 .0363 .0339 .0374 .0377 0 0 .0044
	Bi2 .75 .48697 .65794 .0407 .0379 .0429 .0414 0 0 .0032
	Bi3 .25 .05679 .52041 .0358 .0338 .0343 .0392 0 0 .0022
	Bi4 .75 .27130 .47335 .0360 .0343 .0394 .0343 0 0 .0020
	Bi5 .75 .15535 .64725 .0397 .0406 .0398 .0386 0 0 -.0035
	Pb .25 .16514 .31690 .0422 .0431 .0431 .0405 0 0 .0040
	Cu1 .25 .23800 .7207 .0419 .042 .046 .037 0 0 -.004
	Cu2 .75 .4318 .2672 .223 .042
	S1 .75 .3517 .6088 .033 .036 .032 .032 0 0 .001
	S2 .75 .4574 .4484 .033 .035 .031 .033 0 0 .000
	S3 .25 .4332 .7091 .031 .034 .027 .032 0 0 .001
	S4 .75 .0180 .6268 .033 .035 .032 .032 0 0 .001
	S5 .75 .1192 .4480 .032 .035 .029 .032 0 0 .001
	S6 .75 .2307 .2753 .032 .033 .028 .034 0 0 .000
	S7 .25 .3132 .3702 .034 .038 .031 .032 0 0 .000
	S8 .25 .2082 .5385 .035 .038 .036 .031 0 0 .000
	S9 .25 .1023 .7126 .031 .035 .027 .032 0 0 -.001
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	Krupkaite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 40 (2002) 1147-1159
	The structural role of excess Cu and Pb in gladite and krupkaite
	based on new refinements of their structure
	Sample: bd47
	_database_code_amcsd 0005782
	4.0134 11.208 11.560 90 90 90 Pmc2_1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 0 .92144 .42290 .0334 .0320 .0323 .0360 0 0 .0042
	Bi2 .5 .56408 .38615 .0344 .0341 .0362 .0330 0 0 .0023
	Bi3 .5 .21067 .55937 .0367 .0380 .0357 .0365 0 0 -.0032
	Pb1 0 .2513 .23076 .0417 .0420 .0427 .0405 0 0 .0068
	Cu1 0 .4611 .6332 .98 .042
	S1 .5 .8029 .5255 .031 .034 .027 .032 0 0 .000
	S2 .5 .1106 .3577 .032 .034 .032 .030 0 0 .000
	S3 .5 .4446 .1885 .032 .033 .030 .034 0 0 -.002
	S4 0 .6904 .2822 .033 .042 .025 .032 0 0 -.004
	S5 0 .3758 .4510 .030 .034 .028 .028 0 0 -.002
	S6 0 .0531 .6201 .030 .033 .026 .031 0 0 .000
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Krupkaite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 40 (2002) 1147-1159
	The structural role of excess Cu and Pb in gladite and krupkaite
	based on new refinements of their structure
	Sample: bd50
	_database_code_amcsd 0005783
	4.0145 11.202 11.560 90 90 90 Pmc2_1
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 0 .92106 .42767 .0323 .0310 .0330 .0328 0 0 -.0038
	Bi2 .5 .56344 .39079 .0330 .0315 .0379 .0295 0 0 -.0015
	Bi3 .5 .21048 .56429 .0352 .0347 .0377 .0330 0 0 .0038
	Pb1 0 .2507 .2357 .0381 .0394 .0399 .0351 0 0 .0033
	Cu1 0 .4612 .6386 .0390 .037 .048 .032 0 0 .003
	S1 .5 .8021 .5304 .031 .035 .029 .030 0 0 -.005
	S2 .5 .1104 .3629 .030 .030 .033 .027 0 0 -.004
	S3 .5 .4447 .1920 .033 .041 .034 .024 0 0 .004
	S4 0 .6901 .2882 .029 .033 .028 .025 0 0 .002
	S5 0 .3751 .4563 .032 .034 .036 .026 0 0 .002
	S6 0 .0531 .6241 .028 .025 .031 .029 0 0 .001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Krupkaite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 40 (2002) 1147-1159
	The structural role of excess Cu and Pb in gladite and krupkaite
	based on new refinements of their structure
	Sample: bd59
	_database_code_amcsd 0005784
	4.0212 11.232 11.581 90 90 90 Pmc2_1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 0 .9232 .4225 .0352 .0320 .0354 .0382 0 0 .0037
	Bi2 .5 .5641 .3857 .0359 .0328 .0389 .0360 0 0 .0007
	Bi3 .5 .2134 .5602 .0452 .0384 .0509 .0462 0 0 .0018
	Pb1 0 .2516 .2307 .0418 .0404 .0408 .0441 0 0 .0051
	Cu1 0 .4606 .6334 .042 .038 .050 .038 0 0 .000
	Cu2 .5 .046 .169 .12 .042
	S1 .5 .8033 .5235 .033 .038 .026 .035 0 0 .004
	S2 .5 .1113 .3578 .034 .034 .032 .036 0 0 .002
	S3 .5 .4456 .1867 .031 .029 .027 .035 0 0 .001
	S4 0 .6902 .2828 .034 .032 .030 .039 0 0 .001
	S5 0 .3774 .4493 .037 .035 .036 .040 0 0 -.006
	S6 0 .0532 .6178 .033 .031 .034 .034 0 0 -.001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Krupkaite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 40 (2002) 1147-1159
	The structural role of excess Cu and Pb in gladite and krupkaite
	based on new refinements of their structure
	Sample: bd59, split Bi3 site
	_database_code_amcsd 0005785
	4.0212 11.232 11.581 90 90 90 Pmc2_1
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Bi1 0 .9232 .4225 .0352 .0320 .0354 .0382 0 0 .0037
	Bi2 .5 .5641 .3857 .0359 .0328 .0389 .0360 0 0 .0007
	Bi3 .5 .2105 .5585 .82 .0402
	Pb3 .5 .233 .582 .18 .052
	Pb1 0 .2516 .2307 .0418 .0404 .0408 .0441 0 0 .0051
	Cu1 0 .4606 .6334 .042 .038 .050 .038 0 0 .000
	Cu2 .5 .046 .169 .12 .042
	S1 .5 .8033 .5235 .033 .038 .026 .035 0 0 .004
	S2 .5 .1113 .3578 .034 .034 .032 .036 0 0 .002
	S3 .5 .4456 .1867 .031 .029 .027 .035 0 0 .001
	S4 0 .6902 .2828 .034 .032 .030 .039 0 0 .001
	S5 0 .3774 .4493 .037 .035 .036 .040 0 0 -.006
	S6 0 .0532 .6178 .033 .031 .034 .034 0 0 -.001
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kutinaite
	Karanovic L, Poleti D, Makovicky E, Balic-Zunic T, Makovicky M
	The Canadian Mineralogist 40 (2002) 1437-1449
	The crystal structure of synthetic kutinaite, Cu14Ag6As7
	_database_code_amcsd 0005793
	11.78079 11.78079 11.78079 90 90 90 Pm-3m
	atom x y z occ Biso
	Ag1 .323 .5 0 2.5
	Ag2 .178 0 0 1.8
	Ag3 .187 .5 .5 2.6
	As1 .5 .250 .250 1.9
	As2 0 .248 .248 2.0
	As3 .5 0 0 1.0
	As4 .5 .5 .5 3.
	Cu1 .331 .331 .1655 .84 2.3
	Cu2 .123 .123 .383 1.9
	Cu3 .382 .382 .382 3.0
	Cu4 .167 .167 .167 .52 2.3
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kupcikite
	Topa D, Makovicky E, Balic-Zunic T, Paar W H
	The Canadian Mineralogist 41 (2003) 1155-1166
	Kupcikite, Cu3.4Fe0.6Bi5S10, a new Cu-Bi sulfosalt from
	Felbertal, Austria, and its crystal structure
	Locality: Felbertal, Austria
	_database_code_amcsd 0005882
	17.512 3.9103 12.869 90 108.56 90 C2/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)
	Cu1 .4007 0 .4719 .0464 .0431 .0374 .065 0 .0258 0
	Cu2 .2158 0 .0602 .45 .0365
	Fe2 .2158 0 .0602 .29 .0365
	Cu3 .1925 0 .0688 .26 .034
	Bi1 .5 0 0 .0339 .0389 .0275 .0345 0 .0108 0
	Bi2 .41619 .5 .22470 .0349 .0364 .0335 .0358 0 .0130 0
	Bi3 .19776 .5 .33891 .0339 .0330 .0329 .0345 0 .0088 0
	S1 .5454 .5 .1669 .0313 .034 .029 .031 0 .010 0
	S2 .3465 0 .0243 .0323 .035 .028 .034 0 .011 0
	S3 .2614 0 .2482 .0303 .032 .028 .031 0 .011 0
	S4 .4827 0 .3626 .0324 .034 .031 .031 0 .009 0
	S5 .3353 .5 .4970 .0273 .027 .026 .029 0 .009 0
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	Cuprobismutite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 41 (2003) 1481-1501
	Crystal structures and crystal chemistry of members of the cuprobismutite
	homologous series of sulfosalts
	Locality: Felbertal Austria
	_database_code_amcsd 0005923
	17.590 3.9219 15.177 90 100.710 90 C2/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)
	Bi1 .0 .5 .0 .292 .0304 .0280 .0295 .0341 0 .0068 0
	Ag1 .0 .5 .0 .708 .0304 .0280 .0295 .0342 0 .0068 0
	Bi2 .33456 .5 .09272 .0293 .0300 .0219 .0340 0 .0012 0
	Bi3 .49537 .0 .28002 .0293 .0311 .0239 .0321 0 .0038 0
	Bi4 .24520 .5 .37071 .0270 .0250 .0248 .0307 0 .0037 0
	Cu1 .15528 .0 .14082 .0562 .0929 .0416 .0360 0 .0166 0
	Cu2 .08802 .0 .47966 .0399 .0348 .0365 .0478 0 .0060 0
	S1 .16381 .5 .05920 .0294 .0353 .0230 .0287 0 .0027 0
	S2 .48973 .5 .12471 .0275 .0252 .0267 .0311 0 .0066 0
	S3 .34252 .0 .22009 .0255 .0215 .0232 .0315 0 .0046 0
	S4 .15341 .0 .28959 .0253 .0203 .0232 .0315 0 .0028 0
	S5 .46745 .5 .38695 .0277 .0309 .0238 .0294 0 .0082 0
	S6 .16142 .5 .49378 .0265 .0285 .0206 .0288 0 .0017 0
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	Hodrushite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 41 (2003) 1481-1501
	Crystal structures and crystal chemistry of members of the cuprobismutite
	homologous series of sulfosalts
	Locality: Felbertal Austria
	_database_code_amcsd 0005924
	17.562 3.9201 27.150 90 92.561 90 C2/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)
	BiME1 .0 .5 .0 .0334 .0389 .0276 .0336 0 .0010 0
	BiME2 .0 .0 .5 .58 .0334 .0345 .0327 .0329 0 -.0005 0
	AgME2 .0 .0 .5 .42 .0334 .0345 .0327 .0329 0 -.0005 0
	Bi1 .37147 .5 .10117 .0325 .0332 .0326 .0318 0 .0018 0
	Bi2 .13057 .5 .15252 .0328 .0330 .0333 .0320 0 .0002 0
	Bi3 .17142 .0 .29526 .0314 .0300 .0318 .0324 0 .0007 0
	Bi4 .44186 .5 .34474 .0335 .0360 .0323 .0321 0 .0019 0
	Bi5 .31594 .0 .44807 .0334 .0332 .0321 .0353 0 .0050 0
	Cu1A .2028 .0 .0266 .67 .0350 .0409 .0334 .0307 0 .0004 0
	Cu1B .1769 .0 .0313 .23 .0350 .0409 .0334 .0307 0 .0004 0
	Cu2 .30651 .0 .21181 .0483 .0389 .0405 .0664 0 .0109 0
	Cu3 .49290 .0 .23496 .0401 .0356 .0381 .0464 0 .0005 0
	Cu4 .12737 .5 .42229 .0525 .0816 .0416 .0332 0 -.0104 0
	S1 .34179 .0 .01089 .0312 .0324 .0288 .0324 0 .0017 0
	S2 .01159 .0 .07497 .0309 .0320 .0296 .0311 0 .0025 0
	S3 .21107 .0 .11110 .0296 .0298 .0282 .0308 0 .0026 0
	S4 .41000 .0 .16263 .0301 .0321 .0303 .0276 0 -.0005 0
	S5 .23697 .5 .22278 .0285 .0296 .0252 .0306 0 .0012 0
	S6 .06358 .0 .22780 .0301 .0290 .0295 .0316 0 .0006 0
	S7 .39101 .0 .28721 .0318 .0353 .0325 .0273 0 -.0009 0
	S8 .09547 .5 .34107 .0308 .0298 .0294 .0335 0 .0057 0
	S9 .29921 .5 .37839 .0302 .0295 .0295 .0316 0 .0022 0
	S10 .46488 .0 .43114 .0317 .0327 .0325 .0298 0 .0010 0
	S11 .15111 .0 .46827 .0341 .0357 .0322 .0342 0 .0004 0
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	Hodrushite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 41 (2003) 1481-1501
	Crystal structures and crystal chemistry of members of the cuprobismutite
	homologous series of sulfosalts
	Locality: Swartberg, South Africa
	_database_code_amcsd 0005925
	17.527 3.901 27.120 90 92.343 90 C2/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)
	BiME1 .0 .5 .0 .0176 .0237 .0130 .0161 0 .0027 0
	BiME2 .0 .0 .5 .750 .0191 .0198 .0212 .0163 0 .0025 0
	Cu5c .0266 0 .4539 .250 .0191 .0198 .0212 .0163 0 .0025 0
	Bi1 .37068 .5 .10071 .0167 .0184 .0182 .0138 0 .0038 0
	Bi2 .12877 .5 .15199 .0173 .0188 .0187 .0146 0 .0026 0
	Bi3 .16960 0 .29461 .0157 .0153 .0179 .0141 0 .0023 0
	Bi4 .44038 .5 .34288 .0185 .0226 .0174 .0157 0 .0031 0
	Bi5 .31627 .0 .44844 .0204 .0195 .0223 .0198 0 .0064 0
	Cu1A .2104 .0 .02507 .41 .0234
	Cu1B .1903 .0 .02828 .59 .0234
	Cu2 .30355 .0 .21016 .0343 .0283 .0235 .0524 0 .0187 0
	Cu3 .49043 .0 .23403 .0232 .0207 .0213 .0278 0 .0016 0
	Cu4 .13079 .5 .42145 .0387 .0653 .0287 .0213 0 -.0084 0
	S1 .34188 .0 .01111 .0152 .0169 .0159 .0132 0 .0056 0
	S2 .01147 .0 .07500 .0148 .0175 .0129 .0142 0 .0039 0
	S3 .20945 .0 .11085 .0147 .0146 .0167 .0128 0 .0027 0
	S4 .40824 .0 .16270 .0133 .0161 .0151 .0089 0 .0043 0
	S5 .23393 .5 .22249 .0131 .0151 .0126 .0119 0 .0034 0
	S6 .06053 .0 .22787 .0153 .0143 .0133 .0181 0 -.0006 0
	S7 .38830 .0 .28623 .0154 .0198 .0179 .0084 0 .0002 0
	S8 .09441 .5 .34133 .0139 .0161 .0148 .0114 0 .0052 0
	S9 .29927 .5 .37966 .0152 .0154 .0169 .0133 0 .0025 0
	S10 .46382 .0 .43090 .0164 .0178 .0184 .0135 0 .0057 0
	S11 .15078 .0 .46710 .0169 .0184 .0152 .0173 0 .0029 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Kuannersuite-(Ce)
	Friis H, Balic-Zunic T, Pekov I V, Petersen O V
	The Canadian Mineralogist 42 (2004) 95-106
	Kuannersuite-(Ce), Ba6Na2REE2(PO4)6FCl, a new member of the apatite group, from
	the Ilimaussaq Alkaline Complex, South Greenland: Description and crystal chemistry
	Locality: Ilimaussaq Alkaline Complex, South Greenland
	_database_code_amcsd 0005927
	9.9097 9.9097 7.4026 90 90 120 P-3
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ba .26020 .02440 .23296 .981 .01277 .0163 .0117 .0104 .00718 -.00062 -.00074
	Ce 1/3 2/3 .47754 .59 .0086 .0087 .0087 .0085 .00438 0 0
	Nd 1/3 2/3 .47754 .26 .0086 .0087 .0087 .0085 .00438 0 0
	La 1/3 2/3 .47754 .15 .0086 .0087 .0087 .0085 .00438 0 0
	Na 2/3 1/3 .0159 1.17 .0213 .024 .024 .014 .0125 0 0
	P .3809 .4123 .2619 .0096 .0097 .0100 .0098 .0054 -.0005 -.0003
	O1 .5072 .3668 .2841 .0185 .019 .024 .018 .016 -.003 -.002
	O2 .1318 .5455 .2190 .0155 .013 .014 .021 .008 .0007 -.002
	O3 .2851 .3867 .4371 .0175 .020 .020 .011 .010 .003 .002
	O4 .2676 .3096 .1150 .0192 .014 .024 .016 .008 -.006 -.009
	F1 0 0 .035 .027
	F2 0 0 1/2 .41 .015 .013 .013 .020 .0066 0 0
	Cl 0 0 1/2 .59 .015 .013 .013 .020 .0066 0 0
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	Tennantite
	Makovicky E, Karanovic L, Poleti D, Balic-Zunic T, Paar W H
	The Canadian Mineralogist 43 (2005) 679-688
	Crystal structure of copper-rich unsubstituted tennantite, Cu12.5As4S13
	Sample: Cerro Atajo, Catamarco, Argentina
	_database_code_amcsd 0006002
	10.1756 10.1756 10.1756 90 90 90 I-43m
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu1 .25 .5 0 .0238 .0309 .0202 .0202 0 0 0
	Cu2A .2174 0 0 .75 .046 .0175 .060 .060 0 0 -.032
	Cu2B .075 .075 -.2139 .17 .050 .057 .057 .035 .025 .018 .018
	As .2586 .2586 .2586 .98 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002
	Sb .2586 .2586 .2586 .02 .0180 .0180 .0180 .0180 -.0002 -.0002 -.0002
	S1 .1184 .1184 .3570 .0183 .0195 .0195 .0158 -.0001 .0019 .0019
	S2 0 0 0 .020 .0205 .0205 .0205 0 0 0
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Gabrielite
	Balic-Zunic T, Makovicky E, Karanovic L, Poleti D, Graeser S
	The Canadian Mineralogist 44 (2006) 141-158
	The crystal structure of gabrielite, Tl2AgCu2As3S7, a new species
	of thallium sulfosalt from Lengenbach, Switzerland
	Locality: Lengenbach, Switzerland
	_database_code_amcsd 0006071
	12.138 12.196 15.944 78.537 84.715 60.470 P-1
	atom x y z occ Uiso
	Tl1 .38351 .48556 .43115 .0312
	Tl2 .23349 .89114 .49914 .0388
	Tl3 .62806 .84668 .46356 .0385
	Tl4 -.00007 .27521 .46826 .0471
	Tl5 .66667 .64355 .09277 .0389
	Tl6 .98277 -.0079 .09798 .0502
	Ag1 .1340 .6009 .2828 .38 .0388
	Cu1 .1340 .6009 .2828 .62 .0388
	Ag2 .1853 .0675 .2747 .14 .0362
	Cu2 .1853 .0675 .2747 .86 .0362
	Cu3 .6677 .1094 .2695 .0333
	Ag4 .9877 .4746 .3155 .06 .0320
	Cu4 .9877 .4746 .3155 .94 .0320
	Ag5 .4554 .8991 .3143 .06 .0349
	Cu5 .4554 .8991 .3143 .94 .0349
	Ag6 .5796 .3587 .3002 .10 .0410
	Cu6 .5796 .3587 .3002 .90 .0410
	Ag7 .8453 .2692 .2835 .26 .0335
	Cu7 .8453 .2692 .2835 .74 .0335
	Ag8 .8334 .7523 .2846 .84 .0311
	Cu8 .8334 .7523 .2846 .16 .0311
	Ag9 .3348 .7544 .2806 .79 .0318
	Cu9 .3348 .7544 .2806 .21 .0318
	As1 -.0071 .9304 .2972 .0173
	As2 .6726 .5751 .3357 .0144
	As3 .3332 .2538 .2878 .95 .0181
	Sb3 .3332 .2538 .2878 .05 .0181
	As4 .6547 .3772 .0767 .87 .0201
	Sb4 .6547 .3772 .0767 .13 .0201
	As5 .3347 .5449 .1504 .0184
	As6 .3920 .9315 .0763 .84 .0190
	Sb6 .3920 .9315 .0763 .16 .0190
	As7 .5890 .0339 .1548 .0183
	As8 .9525 .6356 .0761 .89 .0193
	Sb8 .9525 .6356 .0761 .11 .0193
	As9 .0814 .2971 .1535 .0175
	S1 .8184 .9306 .3576 .022
	S2 .1479 .7430 .3627 .034
	S3 .0106 .0724 .3581 .029
	S4 .8221 .5819 .4070 .022
	S5 .4915 .7057 .4014 .019
	S6 .7016 .3778 .3975 .021
	S7 .5071 .2152 .3599 .023
	S8 .1863 .3989 .3657 .027
	S9 .3171 .0807 .3621 .025
	S10 .7640 .2076 .1805 .028
	S11 .4630 .3752 .0821 .022
	S12 .2807 .7213 .0406 .026
	S13 .4834 .5567 .2135 .023
	S14 .2332 .9487 .1691 .030
	S15 .3998 .1179 .0861 .023
	S16 .7330 .9695 .0454 .026
	S17 .6114 .8430 .2160 .022
	S18 -.0059 .7294 .1687 .026
	S19 .1415 .4423 .0840 .022
	S20 .9862 .2717 .0453 .028
	S21 .9053 .4274 .2156 .024
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
	Lillianite
	Pinto D, Balic-Zunic T, Garavelli A, Makovicky E, Vurro F
	The Canadian Mineralogist 44 (2006) 159-175
	Comparative crystal-structure study of Ag-free lillianite
	and galenobismutite from Vulcano, Aeolian Islands, Italy
	Locality: Vulcano, Aeolian Islands, Italy
	_database_code_amcsd 0006072
	13.567 20.655 4.1216 90 90 90 Bbmm
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb1 .09079 .13373 .5 .490 .0207 .0222 .0228 .0173 .0009 0 0
	Bi1 .09079 .13373 .5 .490 .0207 .0222 .0228 .0173 .0009 0 0
	Pb2 .36313 .04918 .5 .491 .020 .0180 .0259 .0149 .0004 0 0
	Bi2 .36313 .04918 .5 .491 .020 .0180 .0259 .0149 .0004 0 0
	Pb3 .32578 .25 0 .0447 .0319 .0765 .0257 0 0 0
	S1 .2368 .0953 0 .97 .027 .022 .045 .015 .012 0 0
	Se1 .2368 .0953 0 .03 .027 .022 .045 .015 .012 0 0
	S2 0 0 .5 .96 .022 .028 .021 .017 .003 0 0
	Se2 0 0 .5 .04 .022 .028 .021 .017 .003 0 0
	S3 .1836 .25 .5 .0209 .020 .021 .022 0 0 0
	S4 .4550 .1654 .5 .93 .022 .023 .022 .021 .003 0 0
	Se4 .4550 .1654 .5 .07 .022 .023 .022 .021 .003 0 0
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	Galenobismutite
	Pinto D, Balic-Zunic T, Garavelli A, Makovicky E, Vurro F
	The Canadian Mineralogist 44 (2006) 159-175
	Comparative crystal-structure study of Ag-free lillianite
	and galenobismutite from Vulcano, Aeolian Islands, Italy
	Locality: Vulcano, Aeolian Islands, Italy
	_database_code_amcsd 0006073
	11.815 14.593 4.0814 90 90 90 Pnam
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Pb3 .24696 .65307 .25 .75 .0261 .0336 .0243 .0204 .0076 0 0
	Bi3 .24696 .65307 .25 .25 .0261 .0336 .0243 .0204 .0076 0 0
	Bi1 .06791 .39037 .25 1 .0167 .0186 .0175 .0141 .0012 0 0
	Bi2 .10151 .90529 .25 .75 .0204 .0234 .0266 .0113 .0008 0 0
	Pb2 .10151 .90529 .25 .25 .0204 .0234 .0266 .0113 .0008 0 0
	S1 .3352 .0152 .25 .95 .019 .019 .021 .017 .003 0 0
	Se1 .3352 .0152 .25 .05 .019 .019 .021 .017 .003 0 0
	S2 .2596 .2966 .25 .98 .014 .017 .014 .013 .003 0 0
	Se2 .2596 .2966 .25 .02 .014 .017 .014 .013 .003 0 0
	S3 .0560 .0931 .25 .97 .017 .015 .019 .018 -.002 0 0
	Se3 .0560 .0931 .25 .03 .017 .015 .019 .018 -.002 0 0
	S4 .0185 .7125 .25 .97 .015 .017 .015 .014 -.003 0 0
	Se4 .0185 .7125 .25 .03 .015 .017 .015 .014 -.003 0 0
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	Kirkiite
	Makovicky E, Balic-Zunic T, Karanovic L, Poleti D
	The Canadian Mineralogist 44 (2006) 177-188
	The crystal structure of kirkiite, Pb10Bi3As3S19
	Locality: lead-zinc deposit of Aghios Philippos, near Kirki, in Thrace, Greece
	_database_code_amcsd 0006074
	8.621 26.03 8.810 90 119.21 90 P2_1/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)
	Pbl .7400 .0026 .2340 .033 .032 .025 .049 .003 .025 .003
	Pb2 .5833 .1225 .4235 .034 .039 .029 .043 .004 .026 -.002
	Pb3 .0702 .12613 .9000 .027 .014 .023 .038 .003 .006 .001
	Pb4 .5736 .12606 .9023 .75 .029 .017 .021 .040 -.003 .007 .003
	Bi4 .5736 .12606 .9023 .25 .029 .017 .021 .040 -.003 .007 .003
	Pb5 .934 .25 .1162 .045 .056 .026 .068 0 .042 0
	Pb6 .906 .25 .5696 .5 .029 .009 .027 .027 0 -.011 0
	Bi6 .906 .25 .5696 .5 .029 .009 .027 .027 0 -.011 0
	Pb7 .406 .25 .567 .038 .011 .034 .043 0 -.008 0
	Bi1 .241 .0021 .239 .58 .010
	As1 .277 -.004 .259 .42 .014
	As2 .074 .1200 .416 .014
	As3 .408 .2805 .073 .50 .019
	Sl .412 .0621 .044 .012
	S2 .868 .0557 .016 .046
	S3 .469 .0548 .623 .019
	S4 .897 .0539 .615 .025
	S5 .830 .1649 .292 .032
	S6 .213 .1649 .281 .023
	S7 .739 .1811 .719 .037
	S8 .207 .1638 .669 .033
	S9 .548 .25 .944 .014
	S10 .12 .25 .930 .09
	S11 .548 .25 .343 .036
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	Galenobismutite
	Pinto D, Balic-Zunic T, Bonaccorsi E, Borodaev Y S, Garavelli A, Garbarino C,
	Makovicky E, Mozgova N N, Vurro F
	The Canadian Mineralogist 44 (2006) 443-457
	Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite
	Locality: Vulcano, Aeolian Islands, Italy
	Sample: FF-1991a
	_database_code_amcsd 0006084
	11.832 14.640 4.0817 90 90 90 Pnam
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	PbM3 .24859 .65368 .25 .0301 .0349 .0233 .0322 .0101 0 0
	BiM1 .06735 .38982 .25 .0201 .0207 .0177 .0220 .0018 0 0
	BiM2 .10188 .90348 .25 .85 .0268 .0308 .0148 .0349 -.0020 0 0
	PbM2 .10188 .90348 .25 .14 .0268 .0308 .0148 .0349 -.0020 0 0
	S1 .33714 .01493 .25 .895 .022 .024 .019 .023 .003 0 0
	Se1 .33714 .01493 .25 .063 .022 .024 .019 .023 .003 0 0
	Cl1 .33714 .01493 .25 .042 .022 .024 .019 .023 .003 0 0
	S2 .2592 .29667 .25 .958 .0157 .018 .012 .018 .001 0 0
	Cl2 .2592 .29667 .25 .042 .0157 .018 .012 .018 .001 0 0
	S3 .0564 .0931 .25 .945 .019 .020 .017 .019 .001 0 0
	Se3 .0564 .0931 .25 .013 .019 .020 .017 .019 .001 0 0
	Cl3 .0564 .0931 .25 .042 .019 .020 .017 .019 .001 0 0
	S4 .0177 .7120 .25 .940 .017 .018 .014 .020 -.004 0 0
	Se4 .0177 .7120 .25 .018 .017 .018 .014 .020 -.004 0 0
	Cl4 .0177 .7120 .25 .042 .017 .018 .014 .020 -.004 0 0
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	Galenobismutite
	Pinto D, Balic-Zunic T, Bonaccorsi E, Borodaev Y S, Garavelli A, Garbarino C,
	Makovicky E, Mozgova N N, Vurro F
	The Canadian Mineralogist 44 (2006) 443-457
	Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite
	Locality: Vulcano, Aeolian Islands, Italy
	Sample: FF-1991b
	_database_code_amcsd 0006085
	11.846 14.667 4.085 90 90 90 Pnam
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	PbM3 .24865 .65379 .25 .0383 .0446 .0374 .0330 .0102 0 0
	BiM1 .06725 .38979 .25 .0273 .0284 .0263 .0271 .0022 0 0
	BiM2 .10207 .90320 .25 .82 .0354 .0410 .0400 .0252 -.0023 0 0
	PbM2 .10207 .90320 .25 .15 .0354 .0410 .0400 .0252 -.0023 0 0
	S1 .3375 .0150 .25 .900 .028 .031 .027 .025 .001 0 0
	Se1 .3375 .0150 .25 .095 .028 .031 .027 .025 .001 0 0
	Cl1 .3375 .0150 .25 .05 .028 .031 .027 .025 .001 0 0
	S2 .2592 .2966 .25 .907 .020 .020 .021 .018 -.0007 0 0
	Se2 .2592 .2966 .25 .043 .020 .020 .021 .018 -.0007 0 0
	Cl2 .2592 .2966 .25 .05 .020 .020 .021 .018 -.0007 0 0
	S3 .0569 .0929 .25 .891 .025 .024 .022 .029 .001 0 0
	Se3 .0569 .0929 .25 .059 .025 .024 .022 .029 .001 0 0
	Cl3 .0569 .0929 .25 .05 .025 .024 .022 .029 .001 0 0
	S4 .0181 .7120 .25 .886 .023 .027 .021 .022 -.002 0 0
	Se4 .0181 .7120 .25 .064 .023 .027 .021 .022 -.002 0 0
	Cl4 .0181 .7120 .25 .05 .023 .027 .021 .022 -.002 0 0
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	Jagueite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 44 (2006) 497-505
	The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
	Locality: El Chire, La Rioja, Argentina
	_database_code_amcsd 0006089
	5.672 9.909 6.264 90 115.40 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Cu .6183 .1929 -.0172 .95 .0278 .0200 .0249 .037 -.0023 .0104 -.0039
	Ag .6183 .1929 -.0172 .05 .0278 .0200 .0249 .037 -.0023 .0104 -.0039
	Pd1 0 0 0 .0168 .0136 .0169 .0184 -.0012 .0055 .0001
	Pd2 .2585 .1270 .5001 .0184 .0169 .0179 .0179 .0014 .0052 .0005
	Se1 .4685 .0546 .2418 .0185 .0144 .0201 .0197 .0018 .0062 .0005
	Se2 .0159 .1860 .7362 .0185 .0193 .0171 .0188 -.0022 .0078 -.0001
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	Chrisstanleyite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 44 (2006) 497-505
	The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
	Locality: El Chire, La Rioja, Argentina
	_database_code_amcsd 0006090
	5.676 10.342 6.341 90 114.996 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ag .6298 .1964 .9789 .796 .0115
	Cu .645 .189 .041 .20 .0115
	Pd1 0 0 0 .0069 .0085 .001 .012 -.0013 .0052 .0013
	Pd2 .2649 .1271 .5071 .0071 .0099 .002 .012 .0010 .0070 .0003
	Se1 .4645 .0500 .2518 .0080 .0081 .005 .011 .0017 .0046 .0017
	Se2 .0445 .1836 .7593 .0081 .0130 .002 .012 -.0029 .0084 .0002
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	BeV1.5Ti1.5O6
	Raade G, Balic-Zunic T
	The Canadian Mineralogist 44 (2006) 1147-1158
	The crystal structure of (Be,_)(V,Ti)3O6, a mineral related to kyzylkumite
	_database_code_amcsd 0006110
	9.982 8.502 4.5480 90 90 90 Pnma
	atom x y z occ Uiso
	Be .2803 .75 .0751 .84 .013
	V1 .40497 .25 .00773 .5 .0073
	Ti1 .40497 .25 .00773 .5 .0073
	V2 .12914 .43081 .00440 .5 .0070
	Ti2 .12914 .43081 .00440 .5 .0070
	O1 .2204 .25 .2255 .0066
	O2 .4336 .75 .2396 .0089
	O3 .4650 .4147 .2669 .0087
	O4 .2064 .5951 .2511 .0093
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	Kudriavite
	Balic-Zunic T, Makovicky E
	The Canadian Mineralogist 45 (2007) 437-443
	The crystal structure of kudriavite, (Cd,Pb)Bi2S4
	_database_code_amcsd 0006143
	13.095 4.0032 14.711 90 115.59 90 C2/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)
	Cd4 .5 .5 .5 .0183 .0151 .0163 .0206 0 .0050 0
	Pb2 .21088 0 .35684 .0269 .0265 .0189 .0351 0 .0131 0
	Bi1 .34837 .5 .13540 .0205 .0206 .0170 .0223 0 .0076 0
	Bi2* .219 0 .366 .47 .0183 .013 .0194 .014 0 -.003 0
	Pb2* .203 0 .348 .53 .023 .020 .0186 .024 0 .003 0
	Bi3 .5 0 0 .603 .0205 .0183 .0150 .0281 0 .0100 0
	In3 .5 0 0 .397 .0205 .0183 .0150 .0281 0 .0100 0
	Bi3* .5 0 0 .63 .0178 .007 .015 .028 0 .005 0
	In3* .519 0 .008 .187 .017 .007 .015 .028 0 .005 0
	S1 .5036 0 .1882 .95 .0191 .015 .015 .022 0 .003 0
	Se1 .5036 0 .1882 .05 .0191 .015 .015 .022 0 .003 0
	S2 .1633 0 .0603 .95 .0212 .018 .018 .026 0 .007 0
	Se2 .1633 0 .0603 .05 .0212 .018 .018 .026 0 .007 0
	S3 .3337 .5 .3213 .95 .0216 .026 .019 .022 0 .012 0
	Se3 .3337 .5 .3213 .05 .0216 .026 .019 .022 0 .012 0
	S4 .1215 .5 .4590 .95 .0174 .019 .016 .018 0 .008 0
	Se4 .1215 .5 .4590 .05 .0174 .019 .016 .018 0 .008 0
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	Cupromakovickyite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 46 (2008) 515-523
	What is the reason for the doubled unit-cell volumes of
	copper-lead-rich pavonite homologues? The crystal structures of
	cupromakovickyite and makovickyite
	Locality: Baita Bihor, Romania
	_database_code_amcsd 0006187
	13.405 4.016 29.949 90 99.989 90 C2/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)
	Bi1 .34910 0 .46675 .834 .0211 .0187 .0222 .0218 0 .0020 0
	Ag1 .34910 0 .46675 .166 .0211 .0187 .0222 .0218 0 .0020 0
	Bi2 .44698 .5 .09518 .0179 .0197 .0209 .0133 0 .0033 0
	Bi3 .64982 0 .03264 .812 .0217 .0179 .0215 .0254 0 .0028 0
	Ag3 .64982 0 .03264 .188 .0217 .0179 .0215 .0254 0 .0028 0
	Bi4 .55023 .5 .40700 .834 .0204 .0207 .0232 .0170 0 .0029 0
	Ag4 .55023 .5 .40700 .166 .0204 .0207 .0232 .0170 0 .0029 0
	Bi5 .23915 0 .19489 .0207 .0154 .0266 .0179 0 -.0029 0
	Pb .74078 0 .32562 .0317 .0354 .0229 .0393 0 .0131 0
	Cu1 -.01975 .5 .21158 .0310 .017 .033 .040 0 -.005 0
	Cu2 .45067 .5 .27437 .0288 .021 .022 .040 0 -.006 0
	S1 .5 .5 0 .021 .023 .023 .015 0 -.0004 0
	S2 .40887 0 .38753 .018 .014 .020 .017 0 -.0009 0
	S3 .29366 0 .06067 .025 .021 .019 .035 0 .0003 0
	S4 .20840 .5 .43626 .024 .013 .016 .038 0 .005 0
	S5 .59356 0 .11343 .016 .017 .013 .015 0 -.011 0
	S6 .5 .5 .5 .023 .025 .021 .019 0 -.003 0
	S7 .14852 .5 .23335 .0134 .008 .017 .015 0 .002 0
	S8 .40537 .5 .17803 .0168 .019 .018 .0152 0 .008 0
	S9 .36457 0 .27147 .0123 .012 .015 .010 0 .002 0
	S10 .59796 .5 .32498 .0153 .013 .019 .015 0 .004 0
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	Makovickyite
	Topa D, Makovicky E, Balic-Zunic T
	The Canadian Mineralogist 46 (2008) 515-523
	What is the reason for the doubled unit-cell volumes of
	copper-lead-rich pavonite homologues? The crystal structures of
	cupromakovickyite and makovickyite
	Locality: Felbertal, Austria
	_database_code_amcsd 0006188
	13.239 4.0547 14.667 90 99.397 90 C2/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)
	Cu1 .5 .189 .5 .384 .068 .020 .14 .043 0 .0002 0
	Cu2 -.0168 .0 .4448 .147 .070 .032 .09 .09 0 .006 0
	Ag .5 .0 .5 .280 .092 .10 .048 .10 0 .07 0
	Bi1 .15070 .0 .06591 .800 .0270 .0248 .0273 .0285 0 .0038 0
	Ag1 .15070 .0 .06591 .200 .0270 .0248 .0273 .0285 0 .0038 0
	Bi2 .44756 .0 .19061 .0277 .0287 .0292 .0252 0 .0041 0
	Bi3 .24868 .0 .62393 .0311 .0342 .0325 .0240 0 .0025 0
	S1 .5 .0 0 .0246 .028 .028 .017 0 .0008 0
	S2 .09017 .0 .22856 .0261 .023 .030 .024 0 .0008 0
	S3 .14326 .0 .45866 .0229 .022 .027 .018 0 .0006 0
	S4 .20751 .0 .87555 .0327 .024 .024 .047 0 .0032 0
	S5 .39748 .0 .35899 .0283 .033 .026 .029 0 .014 0
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	Prehnite
	Balic-Zunic T, Scavnicar S, Molin G
	European Journal of Mineralogy 2 (1990) 731-734
	Crystal structure of prehnite from Komiza
	Locality: Komiza
	_database_code_amcsd 0006388
	4.646 5.491 18.52 90 90 90 P2cm
	atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Ca 0 .7601 .1507 1.9 .0290 .0132 .0291 .0004 0 .0010
	Si1 .799 .5 0 1.6 .0250 .0090 .0260 0 0 .0010
	Si2 .490 .2509 .1302 1.6 .0225 .0109 .0281 .0005 .0030 0
	Al1 .179 0 0 1.7 .0230 .0100 .0310 0 0 .0010
	Al2 -.002 .2628 .25 .83 1.8 .0230 .0120 .0320 -.0030 0 0
	Fe2 -.002 .2628 .25 .17 1.8 .0230 .0120 .0320 -.0030 0 0
	O1 -.018 .739 .0196 2.1 .0310 .0150 .0320 0 -.0040 0
	O2 .611 .459 .0730 2.6 .0330 .0180 .0470 .0020 -.0010 0
	O3 .350 .032 .0825 1.4 .0160 .0130 .0230 -.0010 -.0050 -.0030
	O4 .245 .392 .1758 1.3 .0170 .0160 .0160 .0030 .0060 .0010
	O5 .745 .130 .1766 2.7 .0400 .0090 .0550 0 .0070 -.0040
	OH1 .206 .960 .25 2.0 .0350 .0180 .0220 -.0040 0 0
	OH2 .790 .565 .25 1.7 .0220 .0020 .0410 .0030 0 0
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	Dorallcharite
	Balic-Zunic T, Moelo Y, Loncar Z, Micheelsen H
	European Journal of Mineralogy 6 (1994) 255-263
	Dorallcharite, Tl0.8K0.2Fe3(SO4)2(OH)6, a new
	member of the jarosite-alunite family
	_database_code_amcsd 0006535
	7.3301 7.3301 17.6631 90 90 120 R-3m
	atom x y z occ Biso
	Tl 0 0 0 .80 4.6
	K 0 0 0 .20 4.6
	Fe 0 .5 .5 4.4
	S 0 0 .3104 4.7
	O1 0 0 .389 2.2
	O2 .228 -.228 .938 5.7
	OH .1372 -.1372 .1344 3.4
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	Felbertalite
	Topa D, Makovicky E, Balic-Zunic T, Berlepsch P
	European Journal of Mineralogy 12 (2000) 825-833
	The crystal structure of Cu2Pb6Bi8S19
	_database_code_amcsd 0006838
	27.637 4.0499 20.741 90 131.258 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)
	Cu .03853 .5 .09196 .0290 .0297 .0292 .0304 0 .0208 0
	Pb1 .19107 .5 .21713 .0296 .0310 .0259 .0411 0 .0276 0
	Pb2 .39771 .5 .40815 .0254 .0311 .0239 .0289 0 .0231 0
	Pb3 -.00530 .5 .34865 .0211 .0267 .0176 .0256 0 .0201 0
	Bi1 .29875 0 .46284 .0183 .0225 .0147 .0220 0 .0166 0
	Bi2 .09694 0 .29559 .0162 .0227 .0153 .0174 0 .0162 0
	Bi3 .39977 .5 .04582 .0227 .0292 .0185 .0332 0 .0260 0
	Bi4 .27538 .5 .10214 .0223 .0268 .0225 .0241 0 .0196 0
	S1 0 .5 .5 .0177 .0269 .0168 .0146 0 .0158 0
	S2 .00539 .5 .22587 .0186 .0214 .0218 .0196 0 .0166 0
	S3 .10170 0 .45155 .0201 .0278 .0193 .0191 0 .0179 0
	S4 .08753 0 .16298 .0146 .0237 .0111 .0200 0 .0190 0
	S5 .07096 .5 .00742 .0171 .0250 .0172 .0222 0 .0213 0
	S6 .19820 .5 .37247 .0233 .0238 .0206 .0241 0 .0151 0
	S7 .20987 0 .11473 .0181 .0307 .0150 .0217 0 .0229 0
	S8 .29744 0 .33258 .0188 .0266 .0127 .0210 0 .0173 0
	S9 .40665 .5 .27651 .0290 .0326 .0224 .0211 0 .0131 0
	S10 .32686 0 .06533 .0144 .0166 .0165 .0176 0 .0145 0
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	SnGeS3
	Sejkora J, Berlepsch P, Makovicky E, Balic-Zunic T
	European Journal of Mineralogy 13 (2001) 791-800
	Natural SnGeS3 from Radvanice near Trutnov (Czech Republic):
	its description, crystal structure refinement and solid solution with PbGeS3
	Locality: Radvanice near Trutnov, Czech Republic
	_database_code_amcsd 0006896
	7.2704 10.197 6.8463 90 105.34 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)
	Sn1 .87533 .08152 .22624 .0258 .0228 .0288 .0245 .0022 .0039 .0036
	Ge1 .31887 .20837 .49671 .0159 .0177 .0155 .0152 .0000 .0054 .0002
	S1 .2241 .0054 .4132 .0170 .0165 .0130 .0211 .0004 .0042 .0013
	S2 .5126 .2158 .8144 .0189 .0140 .0295 .0134 .0021 .0038 -.0041
	S3 .9481 .8217 .0809 .0185 .0191 .0171 .0193 -.0049 .0052 .0006
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	Kirkiite
	Pinto D, Balic-Zunic T, Garavelli A, Garbarino C, Makovicky E, Vurro F
	European Journal of Mineralogy 18 (2006) 393-401
	First occurrence of close-to-ideal kirkiite at Vulcano (Aeolian Islands,
	Italy): chemical data and single-crystal X-ray study
	Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
	_database_code_amcsd 0007156
	8.700 26.237 8.774 90 119.653 90 P2_1/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)
	Pb1 .7436 .00104 .2356 .0235 .018 .019 .022 .000 .002 -.002
	Pb2 .5920 .12483 .4267 .0251 .024 .025 .025 .002 .011 -.002
	Pb3 .07648 .12617 .9032 .0227 .028 .021 .023 .002 .016 .002
	Pb4 .5851 .12619 .9084 .0187 .023 .018 .020 -.002 .015 .001
	Pb5 .9312 .25 .1088 .039 .033 .034 .047 0 .016 0
	Pb6 .9231 .25 .5758 .024 .045 .020 .026 0 .031 0
	Pb7 .4070 .25 .5679 .039 .068 .030 .037 0 .040 0
	Bi1 .2555 .00031 .2459 .0256 .019 .025 .026 -.002 .004 .001
	As2 .081 .1217 .4148 .016
	As3 .417 .2805 .079 .5 .012
	S1 .429 .0624 .063 .021
	S2 .884 .0570 .033 .015
	S3 .457 .0563 .613 .015
	S4 .894 .0552 .606 .012
	S5 .828 .1646 .292 .011
	S6 .210 .1653 .287 .014
	S7 .748 .1813 .738 .019
	S8 .207 .1648 .672 .017
	S9 .557 .25 .940 .007
	S10 .147 .25 .946 .023
	S11 .543 .25 .343 .044
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 0.0001 GPa
	_database_code_amcsd 0008825
	11.299 3.8313 11.227 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0290 .25 .6738 .0180
	Sb2 .3503 .25 .4641 .0218
	S1 .0493 .25 .1226 .0150
	S2 .3745 .25 .0612 .0152
	S3 .2077 .25 .8071 .0154
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 1.115 GPa
	_database_code_amcsd 0008826
	11.098 3.8232 11.091 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0250 .25 .6740 .0146
	Sb2 .3468 .25 .4638 .0212
	S1 .0529 .25 .1236 .0102
	S2 .3767 .25 .0615 .0120
	S3 .2098 .25 .8068 .0164
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 1.591 GPa
	_database_code_amcsd 0008827
	11.044 3.8124 11.043 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0242 .25 .6741 .0177
	Sb2 .3467 .25 .4636 .0157
	S1 .0515 .25 .1246 .0115
	S2 .3775 .25 .0612 .0140
	S3 .2123 .25 .8066 .0143
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 2.118 GPa
	_database_code_amcsd 0008828
	10.959 3.8060 10.983 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0223 .25 .6740 .0151
	Sb2 .3458 .25 .4636 .0121
	S1 .0506 .25 .1254 .0113
	S2 .3736 .25 .0607 .0130
	S3 .2113 .25 .8056 .0134
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 3.235 GPa
	_database_code_amcsd 0008829
	10.836 3.7919 10.884 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0193 .25 .6740 .0103
	Sb2 .3430 .25 .4634 .0160
	S1 .0526 .25 .1258 .0100
	S2 .3736 .25 .0605 .0121
	S3 .2152 .25 .8037 .0131
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 7.406 GPa
	_database_code_amcsd 0008830
	10.529 3.7458 10.604 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0119 .25 .6735 .0154
	Sb2 .3389 .25 .4632 .0175
	S1 .0510 .25 .1270 .0068
	S2 .3709 .25 .0606 .0140
	S3 .2208 .25 .7994 .0125
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	Stibnite
	Lundegaard L F, Miletich R, Balic-Zunic T, Makovicky E
	Physics and Chemistry of Minerals 30 (2003) 463-468
	Equation of state and crystal structure of Sb2S3 between 0 and 10 GPa
	Sample: Romania, P = 7.832 GPa
	_database_code_amcsd 0008831
	10.508 3.7409 10.579 90 90 90 Pnma
	atom x y z Uiso
	Sb1 .0120 .25 .6734 .0159
	Sb2 .3376 .25 .4631 .0167
	S1 .0524 .25 .1271 .0108
	S2 .3715 .25 .0601 .0125
	S3 .2185 .25 .7992 .0129
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity
	of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = .0001 GPa
	_database_code_amcsd 0009004
	11.269 3.9717 11.129 90 90 90 Pnma
	atom x y z Uiso
	Bi1 .0164 .25 .6745 .0204
	Bi2 .3406 .25 .4661 .0210
	S1 .0494 .25 .1311 .019
	S2 .3773 .25 .0604 .022
	S3 .2165 .25 .8069 .019
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = .97 GPa
	_database_code_amcsd 0009005
	11.136 3.9574 11.035 90 90 90 Pnma
	atom x y z Uiso
	Bi1 .0123 .25 .6746 .0192
	Bi2 .3381 .25 .4658 .0223
	S1 .0503 .25 .1266 .014
	S2 .3742 .25 .0603 .016
	S3 .2171 .25 .8062 .018
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = 2.43 GPa
	_database_code_amcsd 0009006
	10.987 3.9353 10.903 90 90 90 Pnma
	atom x y z Uiso
	Bi1 .0077 .25 .6744 .0168
	Bi2 .3347 .25 .4660 .0200
	S1 .0526 .25 .1294 .015
	S2 .3744 .25 .0591 .017
	S3 .2200 .25 .8033 .015
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = 3.53 GPa
	_database_code_amcsd 0009007
	10.907 3.9191 10.822 90 90 90 Pnma
	atom x y z Uiso
	Bi1 .0049 .25 .6744 .0173
	Bi2 .3331 .25 .4663 .0209
	S1 .0527 .25 .1280 .012
	S2 .3737 .25 .0610 .014
	S3 .2211 .25 .8026 .021
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = 5.92 GPa
	_database_code_amcsd 0009008
	10.758 3.8833 10.650 90 90 90 Pnma
	atom x y z Uiso
	Bi1 -.0004 .25 .6744 .0161
	Bi2 .3292 .25 .4668 .0182
	S1 .0523 .25 .1297 .014
	S2 .3754 .25 .0599 .015
	S3 .2207 .25 .7983 .012
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = 7.22 GPa
	_database_code_amcsd 0009009
	10.701 3.8655 10.565 90 90 90 Pnma
	atom x y z Uiso
	Bi1 -.0029 .25 .6744 .0160
	Bi2 .3275 .25 .4674 .0177
	S1 .0493 .25 .1296 .011
	S2 .3745 .25 .0607 .016
	S3 .2232 .25 .7990 .013
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = 8.30 GPa
	_database_code_amcsd 0009010
	10.659 3.8525 10.510 90 90 90 Pnma
	atom x y z Uiso
	Bi1 -.0046 .25 .6746 .0157
	Bi2 .3263 .25 .4674 .0167
	S1 .0534 .25 .1301 .012
	S2 .3752 .25 .0613 .014
	S3 .2225 .25 .7966 .015
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	Bismuthinite
	Lundegaard L F, Makovicky E, Boffa Ballaran T, Balic-Zunic T
	Physics and Chemistry of Minerals 32 (2005) 578-584
	Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa
	Locality: synthetic
	Sample: P = 9.18 GPa
	_database_code_amcsd 0009011
	10.634 3.8423 10.463 90 90 90 Pnma
	atom x y z Uiso
	Bi1 -.0056 .25 .6748 .0155
	Bi2 .3253 .25 .4677 .0171
	S1 .0529 .25 .1296 .013
	S2 .3724 .25 .0602 .015
	S3 .2223 .25 .7963 .013
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = .0001 GPa
	_database_code_amcsd 0009086
	11.8021 14.5690 4.0758 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .0681 .39058 .25 .0186
	Bi2 .1019 .90527 .25 .0227
	Pb .2467 .65258 .25 .0272
	S1 .3356 .0161 .25 .019
	S2 .2587 .2972 .25 .019
	S3 .0532 .0931 .25 .018
	S4 .0174 .7117 .25 .017
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = .16 GPa
	_database_code_amcsd 0009087
	11.7854 14.5531 4.0690 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .06790 .39060 .25 .0172
	Bi2 .10235 .90546 .25 .0211
	Pb .24756 .65235 .25 .0262
	S1 .3355 .0158 .25 .019
	S2 .2589 .2965 .25 .0147
	S3 .0530 .0939 .25 .018
	S4 .0171 .7119 .25 .0177
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = .60 GPa
	_database_code_amcsd 0009088
	11.7253 14.4850 4.0606 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .06687 .39062 .25 .0163
	Bi2 .10383 .90610 .25 .0192
	Pb .24886 .65244 .25 .0245
	S1 .3345 .0167 .25 .021
	S2 .2572 .2963 .25 .015
	S3 .0552 .0933 .25 .018
	S4 .0181 .7109 .25 .017
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 1.39 GPa
	_database_code_amcsd 0009089
	11.6682 14.4350 4.0424 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .06614 .39089 .25 .0161
	Bi2 .10497 .90641 .25 .0185
	Pb .25129 .65226 .25 .0235
	S1 .3342 .0156 .25 .020
	S2 .2579 .2962 .25 .017
	S3 .0534 .0952 .25 .019
	S4 .0186 .7122 .25 .016
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 2.97 GPa
	_database_code_amcsd 0009090
	11.5609 14.2968 4.0100 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .06436 .39123 .25 .0145
	Bi2 .10796 .90692 .25 .0159
	Pb .25468 .65191 .25 .0202
	S1 .3336 .0173 .25 .016
	S2 .2583 .2958 .25 .013
	S3 .0521 .0968 .25 .015
	S4 .0198 .7123 .25 .014
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 4.15 GPa
	_database_code_amcsd 0009091
	11.4902 14.2045 3.9895 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .06375 .39127 .25 .0139
	Bi2 .10865 .90718 .25 .0158
	Pb .2566 .65200 .25 .0189
	S1 .3307 .0178 .25 .013
	S2 .2571 .2974 .25 .018
	S3 .0527 .0958 .25 .017
	S4 .0186 .7126 .25 .010
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 4.78 GPa
	_database_code_amcsd 0009092
	11.4828 14.1434 3.9787 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .06329 .39157 .25 .0134
	Bi2 .10981 .90749 .25 .0148
	Pb .2578 .65187 .25 .0179
	S1 .3303 .0175 .25 .012
	S2 .2603 .2970 .25 .015
	S3 .0537 .0965 .25 .011
	S4 .0207 .7134 .25 .012
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 6.06 GPa
	_database_code_amcsd 0009093
	11.3949 14.0654 3.9591 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .0627 .39205 .25 .0140
	Bi2 .1109 .90782 .25 .0141
	Pb .2597 .65188 .25 .0177
	S1 .3302 .0186 .25 .013
	S2 .2608 .2965 .25 .016
	S3 .0528 .0972 .25 .010
	S4 .0192 .7148 .25 .015
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 8.65 GPa
	_database_code_amcsd 0009094
	11.2963 13.9073 3.9266 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .0618 .39268 .25 .0119
	Bi2 .1128 .90846 .25 .0124
	Pb .2625 .65211 .25 .0150
	S1 .3306 .0184 .25 .013
	S2 .2593 .2968 .25 .011
	S3 .0526 .0989 .25 .011
	S4 .0189 .7154 .25 .011
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	Galenobismutite
	Olsen L A, Balic-Zunic T, Makovicky E, Ullrich A, Miletich R
	Physics and Chemistry of Minerals 34 (2007) 467-475
	Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
	high-pressure crystal chemistry
	Locality: synthetic
	Sample: P = 8.92 GPa
	_database_code_amcsd 0009095
	11.2863 13.8907 3.9233 90 90 90 Pnam
	atom x y z Uiso
	Bi1 .0617 .39259 .25 .0122
	Bi2 .1129 .90847 .25 .0127
	Pb .2628 .65216 .25 .0159
	S1 .3312 .0186 .25 .013
	S2 .2599 .2967 .25 .012
	S3 .0533 .0991 .25 .013
	S4 .0205 .7131 .25 .013
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	Rebulite
	Balic-Zunic T, Scavnicar S, Engel P
	Zeitschrift fur Kristallographie 160 (1982) 109-125
	The crystal structure of rebulite, Tl5Sb5As8S22
	Locality: Allchar, Macedonia, Yugoslavia
	_database_code_amcsd 0010849
	17.441 7.363 32.052 90 105.03 90 P2_1/c
	atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Tl1 .30905 .2987 .45738 .00275 .0115 .00081 -.0001 .00032 -.00015
	Tl2 .69251 .1470 .28730 .00287 .0155 .00083 -.0004 .00018 -.00045
	Tl3 .12171 .4011 .06272 .00274 .0143 .00064 .0004 .00025 .0001
	Tl4 .89889 .3259 .18642 .00219 .0074 .00064 -.00015 .0001 .00005
	Tl5 .47617 .3655 .11055 .00271 .0106 .00083 -.0003 .00068 .0000
	Sb1 .6896 .3257 .43188 .00126 .0087 .00050 .00065 .00035 .00045
	Sb2 .3068 .0979 .31611 .00117 .0062 .00038 -.00005 .00018 .0002
	Sb3 .0852 .1893 .42811 .00133 .0095 .00051 .0008 .00012 .0001
	Sb4 .9206 .1884 .32652 .00163 .0071 .00050 -.0001 .00021 -.00035
	Sb5 .8993 .4529 .4251 .45 .0007 .0086 .00074 .00055 .0001 .0002
	As5' .9138 .4467 .4212 .55 .0005 .0081 .00059 .0006 .00005 .0004
	As1 .2960 .0691 .1679 .0011 .0081 .00034 -.0001 .0001 -.0003
	As2 .7020 .3425 .0860 .0012 .0054 .00034 -.00025 .00005 -.00015
	As3 .8799 .1950 .0469 .0012 .0079 .00034 .0002 .0000 -.00015
	As4 .1234 .1976 .2118 .0011 .0075 .00039 .0003 .0002 -.0001
	As5 .5362 .2525 .4893 .0010 .0087 .00033 -.00045 .0001 .00015
	As6 .4727 .1767 .2609 .0008 .0071 .00029 -.0002 .00015 .00005
	As7 .4826 .4159 .3614 .0013 .0070 .00040 -.0003 .0000 -.00005
	As8 .1162 .3688 .3161 .0012 .0049 .00044 .00045 .00015 -.00005
	S1 -.0065 .4698 .1170 .0016 .005 .00058 -.0006 -.00005 .0003
	S2 .1824 -.0182 .0079 .0013 .010 .00057 .00015 .0002 -.0004
	S3 .8165 .240 .3842 .0018 .010 .00062 .0004 .00015 -.0005
	S4 .8314 .473 .0234 .0016 .011 .00055 -.0007 .00005 .00075
	S5 .1949 .285 .1647 .0020 .012 .00045 .00105 .00045 .00065
	S6 .8166 .4430 .2611 .0016 .006 .00063 -.0005 .0002 -.0004
	S7 .8047 .134 .0942 .0018 .008 .00053 .0001 .0002 .00035
	S8 .1829 .4101 .2634 .0018 .010 .00034 -.00015 .0006 .0002
	S9 .1935 .1641 .3596 .0014 .008 .00063 .0004 .0001 .0002
	S10 .9937 .248 .4715 .0012 .011 .00055 .00005 .00025 -.0003
	S11 .9832 .4522 .3666 .0018 .006 .00044 -.0003 .0001 -.00005
	S12 .4131 -.0090 .0424 .0013 .008 .00038 -.00015 .00035 -.0004
	S13 .5884 .2443 .3559 .0013 .008 .00041 .0000 .00025 -.0002
	S14 .3863 .535 .0213 .0036 .007 .00068 -.0017 .00045 -.00035
	S15 .4056 .257 .1922 .0014 .011 .00055 -.00215 -.0001 .0006
	S16 .5910 .4379 .2219 .0017 .005 .00058 -.0002 .00015 .00005
	S17 .5932 .1617 .0608 .0012 .008 .00059 -.0008 .0001 -.00005
	S18 .4134 .4084 .2891 .0017 .008 .00050 .00035 .00015 .00045
	S19 .4083 .199 .3854 .0010 .011 .00049 -.00045 .0000 -.0005
	S20 .0154 .1931 .2784 .0015 .008 .00042 -.00005 .00015 -.0001
	S21 .2931 .1401 .0974 .0015 .007 .00050 .0003 .0002 .00025
	S22 .6935 .2836 .1550 .0018 .007 .00056 -.0006 .0003 .00005
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	Simonite
	Engel P, Nowacki W, Balic-Zunic T, Scavnicar S
	Zeitschrift fur Kristallographie 161 (1982) 159-166
	The crystal structure of simonite, TlHgAs3S6
	_database_code_amcsd 0010851
	5.948 11.404 15.979 90 90.15 90 P2_1/n
	atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
	Tl .3855 .38393 .31816 .0196 .00493 .00321 -.00120 .00125 .000295
	Hg .9365 .39814 .09751 .0191 .00510 .00131 .00085 -.00040 -.000395
	As1 .0192 .1308 .4320 .0100 .0027 .00123 -.00030 -.00055 -.00010
	As2 .3989 .1584 .0825 .0084 .0032 .00130 -.00065 .0001 .00025
	As3 .7025 .1301 .2515 .0096 .0030 .00116 .00100 .00005 .00005
	S1 .3778 .3419 .1202 .0111 .0040 .0018 .00145 -.00035 -.00030
	S2 .7801 .1313 .1131 .0124 .0035 .0015 .00095 .00015 .00030
	S3 .3931 .1419 .4502 .0108 .0041 .0013 .00025 -.00040 .00020
	S4 .9279 .3272 .4420 .0132 .0034 .0015 .00090 -.00030 .00020
	S5 .0716 .1394 .2882 .0108 .0035 .0013 -.00080 -.00030 -.00025
	S6 .8772 .4393 .2430 .0112 .0029 .0014 .00115 .00020 .00000
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