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Ba3AlF9 |
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Renaudin A, Ferey G, Kozak A, Samouel M |
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European Journal of Solid State and Inorganic Chemistry 27 (1990) 571-580 |
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Polymorphic Ba3AlF9 : crystal structure of form I |
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_cod_database_code 1000288 |
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_database_code_amcsd 0012532 |
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19.706 5.599 15.173 90 90 90 Pnma |
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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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Ba1 .1079 .25 .1904 .0136 .0205 .0076 0 -.0012 0 |
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Ba2 .2426 .25 .7881 .0125 .0135 .0068 0 .0008 0 |
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Ba3 .3221 .25 .5061 .0127 .0209 .0108 0 .0039 0 |
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Ba4 .0310 .25 .9075 .0137 .0153 .0074 0 .000 0 |
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Ba5 .3162 .25 .0729 .0124 .0123 .0077 0 -.0005 0 |
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Ba6 .9967 .25 .6233 .0141 .0145 .0055 0 -.0018 0 |
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Al1 .1189 .25 .4292 .0068 .0165 .0088 0 -.0007 0 |
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Al2 .3876 .25 .2787 .0178 .0146 .0079 0 -.0040 0 |
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F1 .4726 .25 .3193 |
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F2 .3004 .25 .2531 |
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F3 .1886 .25 .5061 |
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F4 .0460 .25 .3563 |
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F5 .2246 .25 .9606 |
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F6 .4433 .25 .7237 |
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F7 .2137 .9947 .1441 |
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F8 .0737 .0017 .0458 |
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F9 .3664 .0263 .3567 |
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F10 .0789 .0226 .4936 |
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F11 .1568 .0222 .3593 |
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F12 .4025 .0264 .1964 |
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