Hydroxylbastnasite-(Nd)
Christensen N
Acta Chemica Scandinavica 27 (1973) 2973-2982
Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure
of NdOHCO3
_database_code_amcsd 0011933
12.32 12.32 9.88 90 90 120 P-6
atom     x     y     z Biso  U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Nd1  .2284 .1226 .2375  .95  .00999 .00828 .01400  .00770  .00259 -.00004
Nd2  .2092 .4363 .2638  .83  .00163 .00432 .00810 -.00104  .00760  .00348
Nd3  .5515 .1060 .2537 1.00  .02026 .01137 .02242  .00613 -.00353  .00456
OH13     0     0  .272  1.4
OH14 .3333 .6667  .230  1.5
OH15 .6667 .3333  .230  1.5
OH16  .339  .019  .321  1.7
OH17  .654 -.012  .180  3.0
C1    .510  .648     0  1.7
O1    .511  .755     0  1.0
O2    .512  .596  .115  1.0
C2   .0144  .185     0  3.0
O3   -.101  .090     0  3.0
O4    .073  .231  .115  2.3
C3    .460  .149     0  3.0
O5    .529  .095     0  3.0
O6    .428  .178  .115  1.7
C4    .444  .580    .5  1.9
O7    .501  .703    .5   .2
O8    .419  .519  .615  1.3
C5    .470  .322    .5  5.1
O9    .572  .433    .5  3.0
O10   .422  .265  .615  2.3
C6    .171  .196    .5  2.5
O11   .183  .096    .5  2.3
O12   .169  .248  .615  2.9