Cerite-(CeCa)
Moore P B, Shen J
American Mineralogist 68 (1983) 996-1003
Cerite, RE9(Fe3+,Mg)(SiO4)6(SiO3OH)(OH)3: Its crystal structure and
relation to whitlockite
Note: Thermal parameters have been changed to match symmetry constraints,
It is likely that the structure was refined wrong to begin with.
_database_code_amcsd 0000921
10.779 10.779 38.061 90 90 120 R3c
atom      x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce1   .2552 .1318 .0683 .940 0.0120 0.0110 0.0098 -.0002 0.0017 0.0072
Ce2   .1435 .2621 .4329 .890 0.0111 0.0294 0.0158 0.0127 0.0052 0.0125
Ce3   .2592 .1357 .1762 .879 0.0160 0.0146 0.0112 -.0041 -.0037 0.0107
Si1   .3164 .1471 .3641      0.0083 0.0125 0.0128 0.0001 0.0004 0.0071
Si2   .1499 .3255 .1376      0.0093 0.0120 0.0115 0.0001 -.0005 0.0003
Sic       0     0 .2524 .862 0.0133 0.0133 0.0061 .00665      0      0
Mg        0     0     0      0.0138 0.0138 0.0108 0.0069      0      0
Cax       0     0 .3444 .169 0.0251 0.0251 0.0329 .01255      0      0
O1    .2653 .0907 .3232      0.0325 0.0493 0.0247 -.0158 -.0127 0.0254
O2    .2764 .0034 .3871      0.0091 0.0117 0.0184 -.0011 0.0013 0.0038
O3    .2578 .2478 .3796      0.0239 0.0228 0.0220 0.0017 0.0045 0.0227
O4    .0857 .1785 .0334      0.0121 0.0100 0.0244 -.0047 0.0043 0.0044
O5    .2415 .2645 .1177      0.0151 0.0175 0.0115 -.0070 -.0025 0.0041
O6   -.0140 .2640 .1236      0.0140 0.0197 0.0110 0.0010 -.0026 0.0057
O7    .1682 .0743 .4655      0.0050 0.0064 0.0362 0.0009 -.0048 0.0015
O8    .1396 .2824 .1788      0.0128 0.0176 0.0041 0.0003 0.0029 0.0079
O9    .1602 .0392 .2398      0.0150 0.0370 0.0192 -.0039 -.0035 0.0129
OH1       0     0 .2967 .866 0.0311 0.0311 0.0148 .01555      0      0
OH1a      0     0 .0638 .097 0.0224 0.0224 0.0080  .0112      0      0
OH1       0     0 .0900      0.0059 0.0059 0.0290 .00295      0      0
OH3       0     0 .1633 .936 0.0112 0.0112 0.0210  .0056      0      0
OH2       0     0 .4090      0.0275 0.0275 0.0208 .01375      0      0