American Mineralogist Crystal Structure Database

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Hopeite
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Haussuhl S, Middendorf B, Dorffel M
 
Journal of Solid State Chemistry 93 (1991) 9-16
Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O
Locality: synthetic
_database_code_amcsd 0013717
10.594 18.333 5.029 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)
MgM  .26247    .25  .0729 .62 .0186  .0174  .0214  .0170      0 -.0006      0
ZnM  .26247    .25  .0729 .38 .0186  .0174  .0214  .0170      0 -.0006      0
Zn   .14241 .49897 .20834     .0124  .0124  .0133  .0115 -.0003  .0002 -.0008
P    .39693 .40469  .2270     .0111  .0141  .0088  .0103  .0007 -.0006  .0005
O4    .3591  .3273  .2820     .0196   .030  .0114  .0173 -.0062 -.0093  .0021
O5    .0997  .5792  .4305     .0268   .051  .0167  .0126   .011  -.004 -.0039
O6    .0253  .4218  .1415     .0203  .0124  .0156   .033 -.0025  .0038 -.0046
O7    .3009  .4597  .3619     .0156  .0133  .0207  .0129  .0049 -.0025 -.0038
Wat1  .1065    .75  .2581     .0223   .019   .030   .018      0  -.004      0
Wat2  .1145    .25  .3450     .0273   .017   .043   .022      0   .005      0
Wat3  .3361  .6700  .3394     .0257   .027   .021   .029  .0075   .006   .001
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