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Thomsenolite |
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Adhikesavalu D, Cameron T S, Knop O |
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Canadian Journal of Chemistry 63 (1985) 3322-3327 |
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Thomsenolite, NaCaAlF6*H2O: hydrogen bonding and comparison with pachnolite |
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_database_code_amcsd 0012167 |
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5.563 5.541 16.1150 90 96.35 90 P2_1/c |
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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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Na1 .2545 .1454 .2484 .0153 .0193 .0136 .0057 .0011 .0014 |
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Ca1 .1894 .6745 .0990 .0042 .0053 .0074 -.0004 -.0005 .0002 |
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Al1 .7177 .1796 .1391 .0045 .0036 .0068 .0001 -.0014 .0006 |
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F1 .5496 .4643 .1267 .0079 .0082 .0144 .0044 -.0010 -.0003 |
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F2 .9880 .3651 .1563 .0058 .0097 .0140 -.0042 -.001 .0021 |
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F3 .4408 .0102 .1273 .0084 .0114 .0145 -.0062 .0014 -.0012 |
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F4 .9039 -.0834 .1576 .0096 .0076 .0134 .0047 .0014 .0008 |
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F5 .6873 .1985 .2497 .0082 .0145 .0082 .0010 -.0004 -.0001 |
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F6 .7357 .1668 .0294 .0121 .0088 .0099 -.0023 .0003 .0010 |
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Ow1 .8008 .6599 .0059 .0094 .0078 .0136 .0013 .0002 .0013 |
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H1 .735 .622 .0583 |
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H2 .749 .8216 -.0127 |
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