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