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AlF3 |
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Le Bail A, Fourquet J, Bentrup U |
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Journal of Solid State Chemistry 100 (1992) 151-159 |
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t-AlF3: crystal structure determination from X-ray powder diffraction |
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data. A new MX3 corner-sharing octahedra 3D network |
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_cod_database_code 1000110 |
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_database_code_amcsd 0013741 |
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10.1843 10.1843 7.1738 90 90 90 *P4/nmm |
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.25 -.25 0 |
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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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Al1 0 0 0 .0131 .0131 .0163 .0043 -.0008 -.0008 |
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Al2 .25 .9135 .3287 .0159 .0184 .0178 0 0 .0029 |
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Al3 .25 .25 .4121 .0137 .0137 .0138 0 0 0 |
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Al4 .25 .25 .9082 .0124 .0124 .0051 0 0 0 |
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F1 .6216 .0524 .8390 .0182 .0174 .0154 .002 -.0001 .0044 |
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F2 .25 .0781 .4105 .0315 .0275 .0176 0 0 -.0006 |
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F3 .1215 .1215 .9089 .0205 .0205 .0143 -.0006 .0027 .0027 |
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F4 .1267 .8733 .5 .0261 .0261 .0124 -.0069 .0014 .0014 |
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F5 .75 .25 .2442 .0083 .0184 .0186 0 0 0 |
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F6 .25 .25 .6633 .0112 .0112 .0301 0 0 0 |
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F7 .25 .25 .1606 .0142 .0142 .0327 0 0 0 |
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