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Ca2 O7 P2 |
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Boudin S, Grandin A, Borel M, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 2062-2064 |
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Redetermination of the beta-Ca2P2O7 structure |
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_cod_database_code 1001556 |
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_database_code_amcsd 0010288 |
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6.6858 6.6858 24.147 90 90 90 P4_1 |
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atom x y z |
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Ca1 .1374 .2313 0 |
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Ca2 .1591 .5447 .24262 |
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Ca3 .7895 .7337 .13802 |
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Ca4 .3627 .1054 .13548 |
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P1 .6213 .3078 .02345 |
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P2 .8673 .2534 .12431 |
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P3 .0463 .7148 .01863 |
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P4 .2873 .6462 .12074 |
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O1 .4607 .1584 .0426 |
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O2 .7727 .1984 -.0133 |
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O3 .5303 .4921 -.0001 |
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O4 .7395 .3776 .0789 |
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O5 .7364 .0873 .1469 |
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O6 .0519 .1769 .0953 |
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O7 .8994 .4088 .1695 |
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O8 .8537 .7907 .0433 |
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O9 .1855 .8795 -.0011 |
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O10 .0229 .5542 -.0249 |
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O11 .1582 .5873 .0666 |
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O12 .3450 .4526 .1474 |
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O13 .4622 .7756 .1015 |
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O14 .1474 .7722 .1572 |
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CdV2(P2O7)2 |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Acta Crystallographica C50 (1994) 840-842 |
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CdV2(P2O7)2 |
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_cod_database_code 1001596 |
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_database_code_amcsd 0010291 |
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4.7833 6.9698 7.7644 89.41 87.77 73.16 P-1 |
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atom x y z |
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Cd1 0 0 0 |
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V1 0 0 .5 |
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V2 .5 .5 0 |
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P1 .61504 .78903 .28111 |
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P2 .03341 .38306 .24804 |
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O1 .3861 .8415 .4226 |
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O2 .1789 .0779 .7297 |
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O3 .0792 .2191 .3769 |
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O4 .3091 .4396 .2072 |
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O5 .4959 .7742 .1019 |
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O6 .8945 .3303 .0852 |
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O7 .8019 .5693 .3332 |
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Ca O9 P2 V2 |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Acta Crystallographica C51 (1995) 796-798 |
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Ca V2 O (P O4)2, isotypic with the Cd phase |
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_cod_database_code 1001656 |
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_database_code_amcsd 0010301 |
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14.192 6.424 7.317 90 90 90 Pnma |
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atom x y z |
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Ca1 .21979 .25 .1149 |
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V1 .37954 .75 .1489 |
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V2 0 .5 0 |
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P1 .18974 .75 .1134 |
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P2 .43270 .25 .1366 |
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O1 .3662 .4378 .1278 |
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O2 .2632 .75 -.0424 |
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O3 .4929 .75 .0081 |
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O4 .2514 .75 .2875 |
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O5 .4442 .75 .3759 |
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O6 -.0186 .25 .1750 |
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O7 .1283 .5533 .1084 |
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(NH4)2(VO)(VP)O7 |
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Boudin S, Grandin A, Labbe P, Raveau B |
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Acta Crystallographica C52 (1996) 2668-2670 |
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(NH4)2(VO)(VP)O7, a layered structure comprising tetrahedral VPO7 groups |
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_cod_database_code 1001731 |
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_database_code_amcsd 0010309 |
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8.6233 8.6233 5.6384 90 90 90 P4bm |
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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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P1 .36969 .13031 .06353 .51 .011 .011 .0068 -.004 .0000 .0000 |
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V1 .36969 .13031 .06353 .49 .0076 .0076 .025 -.0004 -.0059 .0059 |
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V2 0 0 .0593 .0108 .0108 .0183 0 0 0 |
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O1 .5 .5 .3436 .030 .030 .023 0 0 0 |
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O2 .3699 .1301 .3440 .0229 .0229 .020 .0038 .0003 -.0003 |
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O3 .7019 .4169 -.0402 .0134 .031 .034 .0065 -.0008 -.0097 |
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O4 .5 0 -.035 .059 .059 .017 -.016 0 0 |
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N1 .1701 .3299 .585 .049 .049 .029 .026 .000 .000 |
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Hg O14 P4 V2 |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Journal of Materials Chemistry 4 (1994) 1889-1892 |
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Two new diphosphates with SrV2(P2O7)2 structure: mercury and lead phases |
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_cod_database_code 1001669 |
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_database_code_amcsd 0013073 |
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4.848 6.892 8.077 92.65 93.26 106.23 P-1 |
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atom x y z |
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Hg1 0 0 .5 |
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V1 0 0 0 |
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V2 .5 .5 .5 |
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P1 .3817 .75873 .80628 |
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P2 .9714 .35984 .74191 |
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O1 .1755 -.1107 -.1913 |
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O2 -.1218 .1812 -.1584 |
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O3 -.3752 -.1916 -.0624 |
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O4 .1322 .3041 .5893 |
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O5 .7310 .4425 .6837 |
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O6 .4739 .7447 .6283 |
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O7 .2071 .5318 .8472 |
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O14 P4 Pb V2 |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Journal of Materials Chemistry 4 (1994) 1889-1892 |
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Two new diphosphates with SrV2(P2O7)2 structure: mercury and lead phases |
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_cod_database_code 1001670 |
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_database_code_amcsd 0013074 |
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4.804 7.113 7.898 89.78 92.62 106.10 P-1 |
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atom x y z |
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Pb1 0 0 .5 |
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V1 0 0 0 |
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V2 .5 .5 .5 |
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P1 .3817 .7706 .7978 |
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P2 .9728 .3842 .7490 |
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O1 .178 -.0956 -.2047 |
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O2 -.088 .2023 -.1474 |
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O3 -.376 -.1764 -.0709 |
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O4 .125 .3514 .5892 |
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O5 .703 .4457 .7066 |
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O6 .474 .7565 .6163 |
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O7 .197 .5567 .8519 |
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Cd3V4(PO4)6 |
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Boudin S, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 110 (1994) 43-49 |
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A trivalent vanadium monophosphate with a tunnel structure: Cd3V4(PO4)6 |
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_cod_database_code 1001600 |
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_database_code_amcsd 0013807 |
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12.446 12.547 6.487 90 115.66 90 C2/c |
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atom x y z occ |
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Cd1 .5 .25198 .25 |
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Cd2 .0208 -.0003 .4637 .25 |
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V1 .27756 .15402 .3676 |
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P1 .2478 .3927 .1395 |
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P2 0 .2189 .25 |
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O1 .3200 .1615 .0950 |
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O2 .2318 .3213 .3204 |
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O3 .2988 .0052 .358 |
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O4 .4457 .2096 .5346 |
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O5 .0945 .1457 .229 |
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O6 .3821 .3979 .202 |
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Cd2 O7 P V |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Journal of Solid State Chemistry 111 (1994) 365-369 |
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The diphosphovanadate Cd2VPO7: a mixed framework with pseudo-close- |
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packed octahedral layers connected through ditetrahedral VPO7 groups |
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_cod_database_code 1001604 |
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_database_code_amcsd 0013815 |
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4.712 10.791 5.620 90 97.34 90 P2_1/c |
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atom x y z occ |
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Cd1 .88849 .15111 .59457 |
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V1 .3559 .39044 .6494 .5 |
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P1 .3559 .39044 .6494 .5 |
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O1 .1202 .3213 .4708 |
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O2 .6006 .2983 .7556 |
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O3 .2137 .4518 .8654 |
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O4 .5 .5 .5 |
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CdV2O(PO4)2 |
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Boudin S, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 111 (1994) 380-384 |
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A vanadium(III) monophosphate built up from rutile chains: CdV2O(PO4)2 |
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_cod_database_code 1001605 |
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_database_code_amcsd 0013816 |
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14.308 6.318 7.248 90 90 90 Pnma |
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atom x y z |
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Cd1 .22096 .25 .1207 |
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V1 .3783 .75 .1488 |
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V2 0 .5 0 |
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P1 .1926 .75 .1101 |
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P2 .4309 .25 .1317 |
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O1 .3643 .439 .120 |
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O2 .2636 .75 -.047 |
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O3 .496 .75 .017 |
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O4 .2531 .75 .285 |
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O5 .4480 .75 .371 |
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O6 -.0215 .25 .180 |
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O7 .1316 .549 .105 |
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Zn3V4(PO4)6 |
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Boudin S, Grandin A, Leclaire A, Borel M, Raveau B |
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Journal of Solid State Chemistry 115 (1995) 140-145 |
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The original structure of Zn3V4(PO4)6 involving bioctahedral V2O10 |
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units and ZnO5 trigonal bipyramids |
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_cod_database_code 1001646 |
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_database_code_amcsd 0013841 |
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6.349 7.869 9.324 105.32 108.66 101.23 P-1 |
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atom x y z |
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Zn1 0 0 0 |
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Zn2 .2855 .81462 .29056 |
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V1 .3890 .4610 .11579 |
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V2 .9548 .2846 .47813 |
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P1 .9128 .4095 .1663 |
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P2 .3954 .2312 .3683 |
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P3 .2262 .1423 .7688 |
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O1 .6909 .4581 .0820 |
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O2 .5439 .7372 .2272 |
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O3 .1238 .5404 .1624 |
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O4 .4514 .3686 .2877 |
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O5 .2257 .1962 -.0583 |
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O6 .0159 .1811 .6579 |
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O7 .2464 .2786 .4623 |
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O8 .9376 .4566 .3455 |
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O9 .6297 .2320 .4924 |
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O10 .7868 .0575 .2924 |
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O11 .8948 .2127 .0857 |
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O12 .2707 .0371 .2336 |
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|
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O9 P2 Sr V2 |
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Boudin S, Grandin A, Labbe P, Provost J, Raveau B |
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Journal of Solid State Chemistry 127 (1996) 325-330 |
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The V(III) monophosphate series A V2 O (P O4)2 with A = Cd, Ca, Sr: |
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structure and magnetism |
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_cod_database_code 1001748 |
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_database_code_amcsd 0013913 |
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14.220 6.5138 7.5166 90 90 90 Pnma |
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atom x y z |
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Sr1 .21944 .25 .1229 |
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V1 .3821 .75 .1532 |
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V2 0 .5 0 |
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P1 .1892 .75 .1119 |
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P2 .4389 .25 .1450 |
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O1 .3744 .437 .1372 |
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O2 .2648 .75 -.032 |
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O3 .4864 .75 -.005 |
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O4 .2496 .75 .281 |
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O5 .4452 .75 .376 |
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O6 -.0111 .25 .171 |
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O7 .1266 .5607 .1026 |
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|
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