American Mineralogist Crystal Structure Database

2 matching records for this search.

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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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: beta-hopeite
Locality: synthetic
_database_code_amcsd 0019556
5.0266 10.6060 18.2946 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  .20746 .35707  -.00075 .0133  .0130  .0146  .0123 -.0005 -.0007 .00042
Zn2  .42690 .73637     -.25 .0158  .0155  .0157  .0161 -.0012      0      0
P1    .2747 .60280  -.09423 .0124  .0130  .0171  .0071 -.0003 -.0007 -.0010
O1    .1438  .4748  -.07816 .0213   .036  .0153  .0122 -.0028 -.0049  .0006
O2    .3584  .1986  -.03994 .0163  .0160  .0159  .0171  .0027 -.0058 -.0038
O3    .4277  .3995    .0800 .0295   .015   .057  .0165  .0071 -.0043 -.0119
O4    .2154  .6400   -.1725 .0204  .0187   .033  .0089 -.0053 -.0019  .0066
O5     .742  .6065 -.249833 .0230   .020   .024   .025   .004      0      0
O6    .1515  .8861     -.25 .0270  .0500  .0500  .0500      0      0      0
O7    .6657  .8363   -.3306 .0277   .023   .019   .039   .004      0      0
H1     .722  .4990 -.250167   .05
H2   -.0279  .8612     -.25   .05
H3    .2224  .9842     -.25   .05
H4    .5559  .9045   -.3525   .05
H5    .6313  .7738   -.3621   .05
Download AMC data (View Text File)
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: 2
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