American Mineralogist Crystal Structure Database

1 matching records for this search.

Ba2 F3 O6 Y
 
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 1000330
_database_code_amcsd 0012543
9.458 6.966 11.787 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  .6205 .2381 .4287  .0092  .0076  .0064 -.0005  .0003 -.0004
Y1       0 .2732   .25  .0059  .0072  .0055      0 -.0002      0
F1   .5945 .8489 .4211   .013  .0104  .0088 -.0042 -.0019 -.0007
F2       0 .6019   .25   .015  .0114  .0086      0  .0076      0
O1   .1865 .0440 .2185  .0167  .0155  .0047  .0075  .0009 -.0031
O2   .0902 .0194 .3878  .0094  .0099   .014 -.0006   .006  .0016
O3   .2989 .8793 .3553  .0097  .0193  .0121  .0089 -.0003  .0026
C1   .1930 .9774 .3204
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