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B2 Ca9 Cl8 |
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Reckeweg O, DiSalvo F, Meyer H |
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Zeitschrift fur Anorganische und Allgemeine Chemie 625 (1999) 1408-1410 |
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An expected calcium carbido borate chloride:Ca9 Cl8 (B C2)2 |
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_cod_database_code 1005053 |
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_database_code_amcsd 0015818 |
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11.6291 13.4159 12.0862 90 90 90 Cmcm |
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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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Ca1 .17972 .15165 .44819 .0118 .0098 .0141 -.0014 .0006 -.0027 |
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Ca2 0 .12027 .75 .0089 .0079 .0429 0 0 0 |
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Ca3 0 .34242 .59027 .0108 .0119 .0191 0 0 .0002 |
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Ca4 .18485 .38088 .25 .0111 .0126 .0346 .0034 0 0 |
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Cl1 0 0 .5 .0120 .0157 .0236 0 0 .0059 |
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Cl2 .16034 .03767 .25 .0168 .0097 .0127 -.0028 0 0 |
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Cl3 .65981 0 .5 .0127 .0213 .0377 0 0 .0157 |
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Cl4 0 .27586 .37800 .0189 .0236 .0216 0 0 .0028 |
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Cl5 0 .4877 .75 .0158 .0116 .0235 0 0 0 |
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C1 .1696 .2328 .6313 .008 .008 .013 -.001 .001 .002 |
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B1 .3328 .2499 .25 .006 .008 .016 .005 0 0 |
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