Liebigite
Mereiter K
Tschermaks Mineralogische und Petrographische Mitteilungen 30 (1982) 277-288
The crystal structure of liebigite, Ca2UO2(CO3)3*~11H2O
Locality: Joachimsthal, Bohmen
_database_code_amcsd 0015691
16.699 17.557 13.697 90 90 90 Bba2
atom      x      y       z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .31411 .20626  .19102 1.76  .0216  .0216  .0236 -.0004 -.0038  .0006
Ca2       0      0  .38804 1.58   .014  .0279  .0183  .0039      0      0
Ca3       0      0 -.02542 1.37  .0124  .0225  .0170 -.0001      0      0
U     .2382 .04408       0 1.30  .0108  .0212  .0174 -.0011  .0013 -.0033
O1    .2392 -.0279   .0919  2.1
O2    .2376  .1158  -.0912  2.6
C1    .1805 -.0657  -.1376  2.0
O11   .2567 -.0525  -.1269  2.3
O22   .1353 -.0224  -.0854  1.8
O13   .1541 -.1165  -.1918  3.1
C2    .1249  .1318   .1102  1.5
O21   .1034  .0809   .0487  2.1
O22   .2017  .1388   .1216  2.0
O23   .0750  .1718   .1569  2.3
C3    .4042  .0744   .0331  1.7
O31   .3490  .1081   .0824  2.2
O32   .3793  .0207  -.0260  2.2
O33   .4776  .0882   .0414  2.2
Wat11 .3261  .2843   .0418  5.3
Wat12 .4587  .2114   .1704  3.1
Wat13 .1894  .2690   .2388  5.1
Wat14 .3533  .3100   .2943  4.6
Wat21 .1026  .0015   .2629  2.8
Wat22 .0073  .1331   .3361  2.8
Wat31 .0625 -.0898   .0937  2.3
Wat32 .0101  .0990  -.1486  2.8
Wat41 .1093  .4174   .1846  5.6
Wat42 .5239  .2600  -.0509  9.7  .2364  .0559  .0757 -.0172 -.0037 -.0009
Wat43 .3155 -.1921  -.0536  14.  .1070  .1599  .2650  .0633  .1050  .1185