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American Mineralogist Crystal Structure Database

1 matching records for this search.

BaFeF5
  
Le Bail A, Mercier A
European Journal of Solid State and Inorganic Chemistry 32 (1995) 15-24
Helical octahedral cis chains in alpha-BaFeF5
_cod_database_code 1000122
_database_code_amcsd 0012593
9.532 7.901 11.398 90 93.45 90 P2_1/n
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .27411 .21619 .04362  .0119  .0124  .0098 -.0002 -.0002 -.0004
Ba2  .81343 .28471 .14388  .0106  .0118  .0102  .0001  .0008 -.0004
Fe1  .50624 .30595 .31574  .0077  .0109  .0089  .0004  .0003  .0007
Fe2  .12969 .20643 .33963  .0094  .0104  .0086 -.0002  .0005 -.0006
F1    .3262  .1928  .2881  .0104  .0208  .0158 -.0040  .0021  .0001
F2    .5307  .2727  .1526  .0132  .0363  .0107 -.0042  .0009 -.0039
F3    .0938  .3423  .2021  .0162  .0172  .0139  .0014  .0006  .0033
F4    .1773  .3850  .4464  .0282  .0126  .0156 -.0021 -.0013 -.0047
F5    .9356  .2152  .3649  .0118  .0319  .0141  .0031  .0035  .0011
F6    .5141  .6847  .5201  .0181  .0306  .0097 -.0017  .0020  .0015
F7    .6306  .1169  .3476  .0183  .0124  .0359  .0035 -.0064 -.0029
F8    .1865  .0476  .4581  .0207  .0155  .0140  .0017 -.0015  .0016
F9    .0953  .0179  .2210  .0200  .0157  .0204 -.0060  .0017 -.0085
F10   .3220  .5592  .6672  .0114  .0133  .0169 -.0034  .0008 -.0005


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	Total number of retrieved datasets: 1

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