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Hopeite |
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Haussuhl S, Middendorf B, Dorffel M |
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Journal of Solid State Chemistry 93 (1991) 9-16 |
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Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O |
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Locality: synthetic |
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_database_code_amcsd 0013717 |
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10.594 18.333 5.029 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM .26247 .25 .0729 .62 .0186 .0174 .0214 .0170 0 -.0006 0 |
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ZnM .26247 .25 .0729 .38 .0186 .0174 .0214 .0170 0 -.0006 0 |
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Zn .14241 .49897 .20834 .0124 .0124 .0133 .0115 -.0003 .0002 -.0008 |
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P .39693 .40469 .2270 .0111 .0141 .0088 .0103 .0007 -.0006 .0005 |
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O4 .3591 .3273 .2820 .0196 .030 .0114 .0173 -.0062 -.0093 .0021 |
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O5 .0997 .5792 .4305 .0268 .051 .0167 .0126 .011 -.004 -.0039 |
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O6 .0253 .4218 .1415 .0203 .0124 .0156 .033 -.0025 .0038 -.0046 |
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O7 .3009 .4597 .3619 .0156 .0133 .0207 .0129 .0049 -.0025 -.0038 |
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Wat1 .1065 .75 .2581 .0223 .019 .030 .018 0 -.004 0 |
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Wat2 .1145 .25 .3450 .0273 .017 .043 .022 0 .005 0 |
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Wat3 .3361 .6700 .3394 .0257 .027 .021 .029 .0075 .006 .001 |
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