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Ekanite |
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Szymanski J T, Owens D R, Roberts A C, Ansell H G, Chao G Y |
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The Canadian Mineralogist 20 (1982) 65-75 |
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A mineralogical study and crystal-structure determination of |
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nonmetamict ekanite, ThCa2Si8O20 |
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Note: Changed O2-x coordinate to match reported bond lengths |
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_database_code_amcsd 0005184 |
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7.483 7.483 14.893 90 90 90 I422 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Th 0 0 0 .95 .0103 .0103 .0143 0 0 0 |
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U 0 0 0 .05 .0103 .0103 .0143 0 0 0 |
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Ca .5 0 0 .96 .0158 .0293 .0267 0 0 0 |
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Fe .5 0 0 .03 .0158 .0293 .0267 0 0 0 |
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Mn .5 0 0 .01 .0158 .0293 .0267 0 0 0 |
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Si .3335 .2540 .1479 .0160 .0147 .0220 -.0005 -.0007 -.0015 |
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O1 .2544 .4521 .1251 .0262 .0126 .0523 .0025 -.0013 .0028 |
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O2 .2124 .7124 .25 .0606 .0606 .0207 .0127 .0069 .0069 |
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O3 .2553 .1075 .0818 .0230 .0279 .0291 -.0025 -.0070 -.0081 |
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View JMOL 3-D Structure (permalink) |
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