Villamaninite
King H E, Prewitt C T
American Mineralogist 64 (1979) 1265-1271
Structure and symmetry of CuS2 (pyrite structure)
Locality: synthetic
_database_code_amcsd 0000755
5.7891 5.7891 5.7891 90 90 90 Pa3
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cu 0 0 0 0.00732 0.00732 0.00732 0.00032 0.00032 0.00032
S .39878 .39878 .39878 0.00635 0.00635 0.00635 -.00085 -.00085 -.00085
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Villamaninite
Marcos C, Paniagua A, Moreiras D B, Garcia-Granda S, Diaz M R
Acta Crystallographica B52 (1996) 899-904
Villamaninite, a case of noncubic pyrite-type structure
Locality: Villamanin, Leon, Spain
Sample: 1
Note: anisoU's from ICSD
_database_code_amcsd 0009899
5.709 5.707 5.708 90 90.01 90 P2_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)
CuM1 .7591 .100 .494 .68 .0078 .0051 .0078 .0106 .0024 .0025 -.0003
NiM1 .7591 .100 .494 .15 .0078 .0051 .0078 .0106 .0024 .0025 -.0003
CoM1 .7591 .100 .494 .06 .0078 .0051 .0078 .0106 .0024 .0025 -.0003
FeM1 .7591 .100 .494 .11 .0078 .0051 .0078 .0106 .0024 .0025 -.0003
CuM2 .2513 .107 -.002 .68 .0090 .0063 .0082 .0125 -.0003 .0008 .0009
NiM2 .2513 .107 -.002 .15 .0090 .0063 .0082 .0125 -.0003 .0008 .0009
CoM2 .2513 .107 -.002 .06 .0090 .0063 .0082 .0125 -.0003 .0008 .0009
FeM2 .2513 .107 -.002 .11 .0090 .0063 .0082 .0125 -.0003 .0008 .0009
S1 .855 .004 .101 .013 .007 .014 .019 .005 -.003 .004
S2 .150 .003 .602 .013 .008 .009 .021 -.003 .007 .003
S3 .647 .212 .894 .006
S4 .357 .211 .395 .008
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Villamaninite
Marcos C, Paniagua A, Moreiras D B, Garcia-Granda S, Diaz M R
Acta Crystallographica B52 (1996) 899-904
Villamaninite, a case of noncubic pyrite-type structure
Locality: Villamanin, Leon, Spain
Sample: 2
Note: anisoU's from ICSD
_database_code_amcsd 0009900
5.704 5.703 5.704 90 89.99 90 P2_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)
CuM1 .7475 .100 .4975 .53 .0095 .0096 .0098 .0091 .0004 -.0001 .0009
NiM1 .7475 .100 .4975 .27 .0095 .0096 .0098 .0091 .0004 -.0001 .0009
CoM1 .7475 .100 .4975 .13 .0095 .0096 .0098 .0091 .0004 -.0001 .0009
FeM1 .7475 .100 .4975 .07 .0095 .0096 .0098 .0091 .0004 -.0001 .0009
CuM2 .2483 .103 .0019 .53 .0093 .0091 .0094 .0096 -.0002 -.0010 .0002
NiM2 .2483 .103 .0019 .27 .0093 .0091 .0094 .0096 -.0002 -.0010 .0002
CoM2 .2483 .103 .0019 .13 .0093 .0091 .0094 .0096 -.0002 -.0010 .0002
FeM2 .2483 .103 .0019 .07 .0093 .0091 .0094 .0096 -.0002 -.0010 .0002
S1 .853 -.002 .106 .011 .009 .013 .012 .005 -.003 .001
S2 .137 -.007 .606 .010 .005 .013 .012 -.002 .004 -.001
S3 .644 .208 .896 .007 .009 .007 .005 -.001 -.001 .002
S4 .3471 .204 .397 .0059 .007 .005 .006 -.003 .000 .003
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