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H8 N2 O8 P0.96 V2.04 |
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Ninclaus C, Retoux R, Riou D, Ferey G |
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Journal of Solid State Chemistry 122 (1996) 139-142 |
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Synthesis and structure determination of the disordered V(V)-P compound |
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(N H4)2 V(IV) O (V(V)2-x Px O7) |
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_cod_database_code 1000480 |
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_database_code_amcsd 0013881 |
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8.629 8.629 5.648 90 90 90 P4 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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V1 .3694 .1308 .0077 .52 .010 .010 .017 -.002 .000 .005 |
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P1 .3694 .1308 .0077 .48 .010 .010 .017 -.002 .000 .005 |
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V2 .5 .5 0 .013 .013 .017 0 0 0 |
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V3 0 0 .0086 .013 .013 .019 0 0 0 |
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O1 0 0 .2928 .033 .033 .023 0 0 0 |
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O2 .5 .5 .2802 .031 .031 .021 0 0 0 |
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O3 .3698 .1302 .2857 .024 .024 .020 .004 .002 .001 |
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O4 .5 0 -.0922 .032 .082 .018 -.012 0 0 |
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O5 .4166 .2987 -.0991 .031 .012 .035 -.004 -.011 .000 |
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O6 .2018 .0830 -.0985 .014 .027 .031 -.007 .000 .004 |
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N1 .1700 .3308 .5292 .034 .038 .018 .018 .000 .000 |
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H1 .2388 .2704 .4528 |
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H2 .0858 .3445 .4376 |
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H3 .2135 .4234 .5606 |
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H4 .1420 .2849 .6658 |
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