Coquimbite
Yang Z, Giester G
European Journal of Mineralogy 30 (2018) 849-858
Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China
Locality: Hongshan Cu-Au deposit, NW China
_database_code_amcsd 0021043
10.9344 10.9344 17.090 90 90 120 P-31c
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Al        0      0     .0 .660  .0148  .0127  .0127  .0191 .00634       0       0
Fe        0      0     .0 .340  .0148  .0127  .0127  .0191 .00634       0       0
Fe1     1/3    2/3    .25 .969 .01180  .0111  .0111  .0133 .00554       0       0
Al1     1/3    2/3    .25 .031 .01180  .0111  .0111  .0133 .00554       0       0
Fe2     2/3    1/3 .00252 .966 .01692  .0178  .0178  .0151 .00892       0       0
Al2     2/3    1/3 .00252 .034 .01692  .0178  .0178  .0151 .00892       0       0
S    .24478 .41509 .12311      .01538  .0152  .0127  .0174  .0063 -.00064 -.00202
O1   .31837 .34508 .09143       .0247  .0218  .0194  .0337  .0110  -.0002  -.0089
O2   .10834 .31138 .15505       .0230  .0192  .0186  .0251  .0050   .0032   .0005
O3   .22010 .49412 .06001       .0224  .0228  .0201  .0213  .0084  -.0043   .0012
O4   .33577 .51624 .18439       .0182  .0191  .0167  .0198  .0097  -.0043  -.0054
OW1  .16739 .07062 .06237       .0246  .0250  .0161  .0316  .0094  -.0088  -.0017
OW2   .4490  .1162 .21010       .0325  .0314  .0270  .0333  .0102   .0022  -.0024
OW3   .5721  .1623 .07126       .0306  .0412  .0287  .0282  .0221   .0151   .0113
H1A    .218   .157  .0727        .037
H1B    .180   .024  .0917        .037
H2A    .374   .043   .206        .049
H2B1   .510   .106   .238 .473   .049
H2B2   .437   .179   .234 .527   .049
H3A    .594   .104   .071        .046
H3B    .533   .158   .116        .046