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BaZr2F10*2H2O |
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Gao Y, Guery J, Le Bail A, Jacoboni C |
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Journal of Solid State Chemistry 98 (1992) 11-24 |
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Synthesis,X-ray single-crystal structure determination and dehydration |
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study of BaZr2F10*2H2O by X-ray powder thermodiffractometry |
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_cod_database_code 1000108 |
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_database_code_amcsd 0013734 |
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7.8974 7.9076 14.7227 90 90 90 Pnam |
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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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Ba .12239 .09033 .25 .0225 .0158 .0108 -.0083 0 0 |
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Zr .33317 .33639 .99855 .0063 .0026 .0113 -.0003 .0000 .0005 |
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F1 .0058 .0095 .0794 .0142 .0120 .0122 .0036 -.0010 .0004 |
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F2 .0616 .2886 -.0022 .0074 .0068 .0566 -.0006 -.0001 .0007 |
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F3 .2872 .0663 -.0165 .0118 .0049 .0397 -.0019 .0007 .0001 |
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F4 .2935 .2697 .1284 .0345 .0230 .0187 -.0129 .0068 .0050 |
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F5 .2732 .3237 .8654 .0394 .0254 .0173 -.0150 -.0094 .0018 |
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O1 .3324 .5923 .25 .0449 .0254 .0267 .0196 0 0 |
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O2 .5031 .0602 .2259 .5 .0247 .0407 .0460 -.0029 0 0 |
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View JMOL 3-D Structure (permalink) |
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