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Gaylussite |
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Dickens B, Brown W E |
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Inorganic Chemistry 8 (1969) 2093-2103 |
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The crystal structures of CaNa2(CO3)2*5(H2O), synthetic gaylussite, |
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and CaNa2(CO3)2*2(H2O), synthetic pirssonite |
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Locality: synthetic |
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_database_code_amcsd 0012679 |
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14.361 7.781 11.209 90 127.84 90 C2/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca 0 .1929 .25 .001147 .005244 .002744 0 .001021 0 |
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Na .0881 .1822 -.0107 .003032 .007928 .005328 .000170 .002789 -.000581 |
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C .1853 -.0286 .3161 .001827 .004872 .003765 .000028 .001619 .000399 |
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O1 .2852 -.0906 .3633 .002449 .011892 .005902 .002720 .002814 .002432 |
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O2 .1033 .0031 .1749 .002080 .008630 .002871 .000028 .001096 -.000036 |
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O3 .1658 .0095 .4113 .001827 .008135 .003159 .000283 .001668 0 |
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Ow4 0 .6791 .25 .003576 .007846 .007083 0 .002889 0 |
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Ow5 .0696 .2935 .5029 .002799 .008341 .004786 .000368 .002067 -.000218 |
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Ow6 .1467 .4048 .3109 .002177 .010736 .004052 -.001331 .001893 -.000799 |
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H1 .06 .60 .28 1 |
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H2 .09 .20 .57 1 |
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H3 .12 .38 .56 1 |
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H4 .21 .44 .41 1 |
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H5 .17 .41 .25 1 |
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View JMOL 3-D Structure (permalink) |
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