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Phosphoferrite |
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Moore P B, Araki T |
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Inorganic Chemistry 15 (1976) 316-321 |
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A mixed-valence solid-solution series: Crystal structures of phosphoferrite, |
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Fe3(H2O)3[PO4]2, and kryzhanovskite, Fe3(OH)3[PO4]2 |
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Locality: synthetic |
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_database_code_amcsd 0012680 |
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9.460 10.024 8.670 90 90 90 Pbna |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .72 .00249 .00149 .00226 -.00026 -.00074 -.00002 |
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Fe2 .06348 .09782 .63668 .70 .00214 .00173 .00213 .00050 -.00001 .00019 |
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P .20288 .10670 .29122 .50 .00122 .00134 .00179 -.00008 -.00005 .00006 |
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O1 .21539 .25627 .33460 .81 .00204 .00143 .00376 -.00002 .00007 .00046 |
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O2 .10316 .03661 .40657 .80 .00203 .00246 .00231 -.00068 -.00033 .00015 |
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O3 .35040 .04224 .29614 .85 .00154 .00229 .00358 .00061 -.00007 .00035 |
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O4 .14429 .09993 .12530 .90 .00268 .00289 .00197 -.00056 -.00043 -.00019 |
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OW1 -.08684 .25 .5 1.49 .00442 .00305 .00553 0 0 .00084 |
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OW2 -.02832 .32797 .14766 .82 .00224 .00166 .00331 -.00031 -.00010 -.00004 |
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H1 -.134 .200 .446 |
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H2a -.100 .310 .156 |
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H2b .023 .268 .133 |
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