Cebaite-(La)
Mercier N, Leblanc M
European Journal of Solid State and Inorganic Chemistry 30 (1993) 195-205
Crystal growth and structures of rare earth fluorocarbonates: I.
Structures of Ba Sm (CO3)2F and Ba3La2(CO3)5F2: revision of the
corresponding huanghoite and cebaite type structures
_cod_database_code 1000471
_database_code_amcsd 0012565
21.47198 5.098 13.325 90 94.96 90 C2/m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0     0     0  .0148  .0129  .0083      0  .0013      0
Ba2  .1926     0 .6005  .0071  .0073  .0100      0 -.0001      0
Ba3      0    .5    .5  .0101  .0089  .0108      0 -.0009      0
Ba4  .3134     0 .9049  .0082  .0095  .0081      0  .0001      0
La1  .1053     0 .2880  .0057  .0052  .0074      0 -.0001      0
La2  .4000     0 .1851  .0055  .0051  .0073      0 -.0001      0
F1   .1259     0 .1121  .0200  .0173  .0143      0  .0026      0
F2   .4268     0 .0141  .0139  .0232  .0122      0  .0017      0
O1   .0127 .2815 .1863  .0093  .0073  .0160 -.0020 -.0005 -.0002
O2   .1213 .2810 .4425  .0206  .0098  .0145 -.0064 -.0010 -.0019
O3   .0097     0 .3871  .0070  .0212  .0164      0 -.0023      0
O4   .2159 .2170 .2753  .0129  .0061  .0218  .0010 -.0027  .0001
O5   .3063     0 .2812  .0077  .0242  .0155      0  .0011      0
O6   .4005     0 .7666  .0062  .0134  .0140      0 -.0013      0
O7   .0779 .2193 .6579  .0141  .0124  .0129 -.0038  .0014 -.0023
O8   .1030     0 .8687  .0104  .0107  .0177      0 -.0045      0
O9   .1897 .2205 .9172  .0109  .0082  .0176 -.0013 -.0017 -.0016
O10  .2940     0 .4967  .0116  .0167  .0157      0 -.0007      0
C1   .5416     0 .1997  .0064  .0084  .0083      0  .0012      0
C2   .2467     0 .2757  .0097  .0083  .0096      0 -.0022      0
C3   .0486     0 .6452  .0090  .0077  .0077      0 -.0008      0
C4   .1612     0 .9036  .0091  .0080  .0110      0 -.0004      0
C5   .3496     0 .5397  .0101  .0098  .0082      0  .0017      0