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Arsenstruvite |
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Ferraris G, Franchini-Angela M |
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Acta Crystallographica B29 (1973) 859-863 |
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Hydrogen bonding in the crystalline state. Refinement of the crystal structure |
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of MgNH4AsO4*6(H2O), arsenstruvite |
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Locality: synthetic |
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_database_code_amcsd 0009477 |
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7.054 6.205 11.368 90 90 90 Pmn2_1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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As 0 -.00588 -.00050 .006029 .00655 .00218 0 0 -.00010 |
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Mg 0 .3733 .3717 .006431 .00811 .00259 0 0 -.00010 |
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O1 0 -.0236 -.1490 .012711 .01519 .00247 0 0 -.00031 |
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O2 0 -.2563 .0574 .009154 .00727 .00356 0 0 .00085 |
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O3 .1972 .1234 .0444 .007938 .01201 .00356 -.00097 -.00012 -.00138 |
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OW1 0 .6762 .2889 .024669 .01181 .00328 0 0 .00152 |
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OW1 0 .0757 .4597 .006632 .01857 .00920 0 0 .00786 |
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OW3 .2165 .2663 .2625 .011556 .01818 .00296 .00308 -.00024 -.00141 |
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OW4 .2062 .4789 .4863 .012561 .01207 .00433 .00028 -.00573 -.00198 |
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N 0 .3694 .7312 .018640 .01785 .00408 0 0 .00209 |
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H1 0 .270 .771 1.0 |
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H2 0 .684 .204 1.3 |
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H3 0 .799 .318 2.8 |
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H4 .115 .023 .485 2.1 |
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H5 .178 .187 .213 4.8 |
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H6 .236 .637 .506 6.8 |
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H7 .294 .200 .302 .5 |
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H8 .315 .380 .529 2.2 |
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H9 .080 .350 .681 .75 5.0 |
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H10 .085 .450 .740 .75 5.4 |
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