American Mineralogist Crystal Structure Database

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Hopeite
Download hom/hopeite.pdf
Herschke L, Enkelmann V, Lieberwirth I, Wenger G
Chemistry - A European Journal 10 (2004) 2795-2803
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
Note: alpha-hopeite
Locality: synthetic
_database_code_amcsd 0019555
5.0135 10.6044 18.2828 90 90 90 Pbnm
atom      x      y       z  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
Zn1  .20717 .14307 -.00067 .0117  .0112 .01066 .01319 .00021 -.00067 -.00092
O1    .8577  .1978  .03995 .0144  .0156  .0124  .0152   .001    .001    .003
P1    .7245  .1026  .09440 .0116  .0113  .0145  .0090  .0003  -.0005   .0003
O2    .1445  .0251 -.07816 .0190  .0339  .0105  .0125  .0019  -.0040   -.002
O3    .4258  .1007  .08039 .0259  .0095   .055  .0131 -.0048  -.0027   .0096
O4    .7859  .1394  .17282 .0197  .0180  .0284  .0128  .0087  -.0027  -.0063
Zn2  .57418 .23703     .25 .0131  .0124  .0107  .0161  .0009       0       0
O5    .2590  .1073     .25 .0175  .0154  .0158  .0213 -.0032       0       0
O6    .8517  .3851     .25 .0223   .018  .0123   .037  .0002       0       0
O7    .3367  .3365  .16948 .0231  .0319  .0188  .0185  .0021  -.0011   .0062
H1    .1044  .1004  .30067   .05
H2    .9960  .3675     .25   .05
H3    .8410  .4597     .25   .05
H4    .4353  .3818  .14014   .05
H5    .3650  .2623  .14142   .05
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