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K2NaAl3F12 |
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Le Bail A, Gao Y, Fourquet J, Jacoboni C |
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Materials Research Bulletin 25 (1990) 831-839 |
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Structure determination of A2NaAl3F12 (A=K,Na) |
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_cod_database_code 1000147 |
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_database_code_amcsd 0014347 |
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11.882 6.983 6.942 90 125.59 90 P2_1/m |
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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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K1 .8937 .25 .9071 .0222 .0254 .0229 0 0 .0147 |
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K2 .3581 .75 .8923 .0155 .0359 .0201 0 0 .0081 |
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Na .2407 .25 .0312 .0144 .0137 .0127 0 0 .0082 |
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Al1 .5 .5 .5 .0078 .0054 .0089 -.0004 .0053 .0003 |
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Al2 0 0 .5 .0073 .0058 .0085 -.0002 .0048 .0001 |
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Al3 .2811 .25 .5891 .0075 .0079 .0096 0 0 .0062 |
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F1 .4984 .25 .4189 .0156 .0062 .0136 0 0 .0094 |
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F2 .3788 .25 .8985 .0125 .0270 .0092 0 0 .0056 |
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F3 .0582 .75 .5843 .0115 .0055 .0145 0 0 .0062 |
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F4 .8215 .75 .7174 .0137 .0235 .0090 0 0 .0060 |
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F5 .6510 .0405 .7849 .0120 .0127 .0115 -.0005 .0040 -.0007 |
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F6 .3946 .0626 .6068 .0154 .0111 .0199 .0043 .0141 .0022 |
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F7 .9490 .9565 .2112 .0187 .0125 .0104 -.0016 .0088 -.0021 |
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F8 .8260 .5608 .4081 .0095 .0120 .0205 .0009 .0090 -.0029 |
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View JMOL 3-D Structure (permalink) |
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