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Cl Co H4 O3 P |
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Marcos M, Ibanez R, Amoros P, Le Bail A |
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Acta Crystallographica C47 (1991) 1152-1155 |
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Layer structure of (CoCl(H2PO2))*H2O |
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_cod_database_code 1008495 |
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_database_code_amcsd 0016388 |
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7.416 13.082 9.483 90 90 90 Pbca |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Co1 .11761 .50057 .14499 .0127 .0198 .0130 -.0011 -.0010 .0003 |
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P1 .22495 .15392 .38784 .0138 .0158 .0151 -.0004 .0005 .0000 |
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Cl1 .87924 .39750 .26525 .0169 .0205 .0186 .0009 .0028 .0002 |
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O1 .0858 .0871 .4626 .0133 .0214 .0152 .0018 .0003 -.0016 |
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O2 .6960 .0943 .4568 .0181 .0302 .0192 -.0023 -.0020 .0028 |
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O3 .3775 .0965 .3168 .0151 .0260 .0184 -.0051 .0024 -.0005 |
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H1 .285 .211 .478 |
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H2 .137 .212 .306 |
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H3 .577 .089 .432 |
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H4 .699 .098 .551 |
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K(VO2)(HPO4) |
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Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G |
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European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 |
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Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved |
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from X-ray powder diffraction |
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_cod_database_code 1000079 |
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_database_code_amcsd 0012523 |
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6.7550 9.1026 17.0808 90 90 90 Pbca |
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atom x y z |
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K .2766 .8124 .1005 |
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V .0175 .9483 .7606 |
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P .8074 .8876 .5959 |
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O1 .8803 .7432 .5552 |
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O2 .7606 .0034 .5289 |
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O3 .1076 .8657 .8561 |
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O4 .4824 .9537 .8496 |
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O5 -.0199 .8815 .2246 |
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O6 .2152 .1054 .2238 |
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NH4(VO2)(HPO4) |
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Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G |
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European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 |
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Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved |
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from X-ray powder diffraction |
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_cod_database_code 1000080 |
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_database_code_amcsd 0012524 |
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6.8064 9.2567 17.732 90 90 90 Pbca |
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atom x y z |
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N .272 .8113 .0953 |
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V .0230 .9587 .7587 |
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P .8122 .8988 .6009 |
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O1 .863 .7476 .5620 |
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O2 .767 .0158 .5395 |
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O3 .107 .8856 .8532 |
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O4 .487 .9500 .8493 |
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O5 -.020 .8777 .2313 |
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O6 .207 .0970 .2260 |
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Rb(VO2)(HPO4) |
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Amoros P, Beltran-Porter D, Le Bail A, Ferey G, Villeneuve G |
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European Journal of Solid State and Inorganic Chemistry 25 (1988) 599-607 |
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Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved |
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from X-ray powder diffraction |
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_cod_database_code 1000081 |
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_database_code_amcsd 0012525 |
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6.8182 9.291 17.631 90 90 90 Pbca |
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atom x y z |
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Rb .2733 .8128 .1001 |
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V .013 .9528 .7581 |
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P .802 .8926 .5977 |
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O1 .852 .756 .5610 |
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O2 .754 .013 .5387 |
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O3 .105 .888 .8539 |
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O4 .482 .946 .8480 |
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O5 0 .879 .2380 |
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O6 .204 .096 .2260 |
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VO(HPO4)*2H2O |
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Le Bail A, Ferey G, Amoros P, Beltran-Portier D |
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European Journal of Solid State and Inorganic Chemistry 26 (1989) 419-426 |
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Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O |
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solved from X-ray and neutron powder diffraction |
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_cod_database_code 1000083 |
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_database_code_amcsd 0012528 |
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7.613 7.431 9.482 90 95.44 90 P2_1/c |
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atom x y z |
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V .5248 .1463 .2572 |
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P .2811 .1497 .5128 |
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O1 .3062 .1384 .3510 |
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O2 .3795 .3186 .5782 |
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O3 .3282 .9728 .5991 |
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O4 .0727 .1851 .5125 |
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O5 .7171 .0911 .1265 |
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O6 .5717 .1483 .7952 |
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O7 .9762 .4174 .2709 |
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Co H3 O4 P |
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Sapina F, Gomez-Romero P, Marcos M, Amoros P, Ibanez R, Beltran D, Navarro R, Rillo C, Lera F |
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European Journal of Solid State and Inorganic Chemistry 26 (1989) 603-617 |
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Two new cobalt(II) compounds exhibiting weak ferromagnetism: magnetic |
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susceptibility study of Co H P O3 . H2 O and Co Cl (H2 P O2) . (H2 O) |
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and crystal structure of Co H P O3 . H2 O |
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_cod_database_code 1009039 |
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_database_code_amcsd 0016900 |
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8.984 7.918 10.139 90 90 90 Pca2_1 |
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atom x y z |
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Co1 .09382 .1250 .08 |
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Co2 -.0952 -.1302 -.06374 |
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P1 .2465 -.2304 -.0232 |
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P2 .0921 .1325 -.2430 |
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O1 .0602 .3826 .1242 |
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O2 -.0654 -.3811 -.1089 |
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O3 .1128 -.1352 .0272 |
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O4 .2696 -.4014 .0402 |
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O5 -.1113 .1215 -.0153 |
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O6 .1862 .1521 -.1179 |
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O7 .3134 .1594 .1347 |
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O8 -.0061 .0368 .2540 |
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H1 .220 -.267 -.161 |
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H2 -.010 .280 -.252 |
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H3 .114 .46 .104 |
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H4 -.045 .404 .107 |
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H5 -.136 -.44 -.071 |
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H6 .059 .395 .314 |
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Bariosincosite |
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Roca M, Marcos M D, Amoros P, Alamo J, Beltran-Porter A, Beltran-Porter D |
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Inorganic Chemistry 36 (1997) 3414-3421 |
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Synthesis and crystal structure of a novel lamellar barium derivative: |
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Ba(VOPO4)2*4H2O. Synthetic pathways for layered oxovanadium phosphate hydrates |
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M(VOPO4)2*nH2O |
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_database_code_amcsd 0012720 |
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6.3860 12.7796 6.3870 90 90.172 90 Pn |
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atom x y z Uiso |
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Ba1 -.0005 .7505 -.0007 .016 |
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V1 .2780 .0444 -.1051 .011 |
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V2 -.1084 .4558 -.2748 .011 |
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P1 -.1117 .4999 .2249 .010 |
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P2 -.2190 .0033 -.1080 .010 |
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O1 .0818 .5718 .2346 .014 |
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O2 .3684 .5702 -.0817 .014 |
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O3 -.2258 .9311 .0845 .015 |
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Wat4 -.1064 .2657 -.3085 .016 |
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Wat5 -.4007 .7522 -.1686 .022 |
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O6 -.0323 .0799 -.0946 .014 |
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O7 -.2998 .5747 .2029 .014 |
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Wat8 .3001 .2284 -.1070 .018 |
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Wat9 .1560 .7456 -.3943 .021 |
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O10 -.1044 .5804 -.2625 .019 |
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O11 .2635 .9199 -.0991 .017 |
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O12 -.4147 .0727 -.1249 .014 |
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O13 -.1998 .9290 -.2964 .015 |
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O14 -.0963 .4238 .0361 .014 |
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VO(HPO4)(H2O)2 |
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Le Bail A, Ferey G, Amoros P, Beltran Porter D, Villeneuve G |
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Journal of Solid State Chemistry 79 (1989) 169-176 |
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Crystal structure of beta-VO(HPO4)(H2O)2 solved from X-Ray powder diffraction |
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_cod_database_code 1000072 |
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_database_code_amcsd 0013650 |
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5.659 7.578 12.623 89.66 102.14 92.23 P-1 |
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atom x y z |
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V1 .8860 .2762 .3628 |
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V2 .9087 .2197 .8621 |
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P1 .831 .3440 .6101 |
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P2 .847 .1605 .1070 |
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O1 .963 .269 .713 |
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O2 .958 .267 .219 |
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O3 .959 .237 .023 |
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O4 .882 .229 .509 |
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O5 .265 .382 .903 |
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O6 .224 .112 .406 |
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O7 .860 .543 .5976 |
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O8 .858 .962 .1211 |
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OH1 .550 .3136 .603 |
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OH2 .548 .197 .0805 |
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Wat1 .646 .400 .3312 |
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Wat2 .671 .099 .8364 |
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Wat3 .726 .019 .3417 |
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Wat4 .765 .466 .860 |
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Zn11(HPO3)8(OH)6 |
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Marcos M, Amoros P, Le Bail A |
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Journal of Solid State Chemistry 107 (1993) 250-257 |
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Synthesis and crystal structure of a tubular hydroxyphosphite: |
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Zn11(HPO3)8(OH)6 |
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_cod_database_code 1000115 |
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_database_code_amcsd 0013786 |
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12.872 12.872 4.9772 90 90 120 P6_3mc |
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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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Zn .42918 .34856 0 .9167 .0190 .0205 .0157 .0093 -.0020 -.0029 |
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P1 .16139 .83861 .9810 .0123 .0123 .0122 .0050 .0000 .0000 |
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P2 2/3 1/3 .7538 .0092 .0092 .0152 .0046 0 0 |
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O1 .3437 .0736 .6437 .0245 .0149 .0131 .0102 -.0005 .0019 |
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O2 .1981 .8019 .7180 .0188 .0188 .0130 .0047 .0054 -.0054 |
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O3 .3987 .6013 .339 .0134 .0134 .0487 .0069 -.0011 .0011 |
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O4 .4747 .5253 .8018 .0187 .0187 .0145 .0112 .0020 -.0020 |
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H1 .449 .551 .94 |
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H2 .099 -.099 .93 |
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H3 2/3 1/3 .47 |
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|
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|
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