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Cerite-(CeCa) |
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Moore P B, Shen J |
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American Mineralogist 68 (1983) 996-1003 |
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Cerite, RE9(Fe3+,Mg)(SiO4)6(SiO3OH)(OH)3: Its crystal structure and |
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relation to whitlockite |
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Note: Thermal parameters have been changed to match symmetry constraints, |
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It is likely that the structure was refined wrong to begin with. |
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_database_code_amcsd 0000921 |
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10.779 10.779 38.061 90 90 120 R3c |
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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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Ce1 .2552 .1318 .0683 .940 0.0120 0.0110 0.0098 -.0002 0.0017 0.0072 |
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Ce2 .1435 .2621 .4329 .890 0.0111 0.0294 0.0158 0.0127 0.0052 0.0125 |
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Ce3 .2592 .1357 .1762 .879 0.0160 0.0146 0.0112 -.0041 -.0037 0.0107 |
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Si1 .3164 .1471 .3641 0.0083 0.0125 0.0128 0.0001 0.0004 0.0071 |
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Si2 .1499 .3255 .1376 0.0093 0.0120 0.0115 0.0001 -.0005 0.0003 |
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Sic 0 0 .2524 .862 0.0133 0.0133 0.0061 .00665 0 0 |
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Mg 0 0 0 0.0138 0.0138 0.0108 0.0069 0 0 |
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Cax 0 0 .3444 .169 0.0251 0.0251 0.0329 .01255 0 0 |
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O1 .2653 .0907 .3232 0.0325 0.0493 0.0247 -.0158 -.0127 0.0254 |
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O2 .2764 .0034 .3871 0.0091 0.0117 0.0184 -.0011 0.0013 0.0038 |
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O3 .2578 .2478 .3796 0.0239 0.0228 0.0220 0.0017 0.0045 0.0227 |
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O4 .0857 .1785 .0334 0.0121 0.0100 0.0244 -.0047 0.0043 0.0044 |
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O5 .2415 .2645 .1177 0.0151 0.0175 0.0115 -.0070 -.0025 0.0041 |
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O6 -.0140 .2640 .1236 0.0140 0.0197 0.0110 0.0010 -.0026 0.0057 |
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O7 .1682 .0743 .4655 0.0050 0.0064 0.0362 0.0009 -.0048 0.0015 |
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O8 .1396 .2824 .1788 0.0128 0.0176 0.0041 0.0003 0.0029 0.0079 |
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O9 .1602 .0392 .2398 0.0150 0.0370 0.0192 -.0039 -.0035 0.0129 |
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OH1 0 0 .2967 .866 0.0311 0.0311 0.0148 .01555 0 0 |
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OH1a 0 0 .0638 .097 0.0224 0.0224 0.0080 .0112 0 0 |
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OH1 0 0 .0900 0.0059 0.0059 0.0290 .00295 0 0 |
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OH3 0 0 .1633 .936 0.0112 0.0112 0.0210 .0056 0 0 |
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OH2 0 0 .4090 0.0275 0.0275 0.0208 .01375 0 0 |
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View JMOL 3-D Structure (permalink) |
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