American Mineralogist Crystal Structure Database

1 matching records for this search.

Ba2 F3 Gd O6
 
Mercier N, Leblanc M
European Journal of Solid State and Inorganic Chemistry 28 (1991) 727-735
Synthesis and crystal structure of fluorocarbonates
Ba2M(CO3)2F3 (M=Y,Gd)
_cod_database_code 1000331
_database_code_amcsd 0012544
9.513 6.978 11.864 90 90 90 Pbcn
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .6200 .2394 .4285  .0095  .0091  .0083 -.0001  .0002  .0000
Gd1      0 .2738   .25  .0062  .0082  .0072      0  .0003      0
F1   .5958 .8509 .4238  .0116  .0118  .0126 -.0017 -.0002  .0000
F2       0 .6067   .25  .0183  .0104  .0174      0  .0071      0
O1   .1888 .0395 .2198  .0136  .0167  .0075  .0026  .0006  .0001
O2   .0895 .0205 .3875  .0099  .0137  .0116  .0006  .0041 -.0003
O3   .2984 .8803 .3591  .0123  .0177  .0163  .0062  .0005  .0041
C1   .1946 .9779 .3225
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