American Mineralogist Crystal Structure Database

3 matching records for this search.

Villamaninite
Download hom/villamaninite.pdf
King H E, Prewitt C T
Download am/vol64/AM64_1265.pdf
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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View JMOL 3-D Structure (permalink)
 
Villamaninite
Download hom/villamaninite.pdf
Marcos C, Paniagua A, Moreiras D B, Garcia-Granda S, Diaz M R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=52&spage=899
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Villamaninite
Download hom/villamaninite.pdf
Marcos C, Paniagua A, Moreiras D B, Garcia-Granda S, Diaz M R
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=52&spage=899
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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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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