data_global
_amcsd_formula_title 'F5 Fe K2'
loop_
_publ_author_name
'Fourquet J'
'Duroy H'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 103 
_journal_year 1993
_journal_page_first 353
_journal_page_last 358
_publ_section_title
;
 K2FeF5: synthesis and crystal structure of a new form
 _cod_database_code 1000325
;
_database_code_amcsd 0013771
_chemical_formula_sum 'K2 Fe F5'
_cell_length_a 7.3591
_cell_length_b 23.0897
_cell_length_c 5.7054
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 969.458
_exptl_crystal_density_diffrn      3.138
_symmetry_space_group_name_H-M 'P b a m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '-x,-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.29830   0.26100   0.00000
K2   0.13330   0.08310   0.00000
K3   0.44690   0.16830   0.50000
K4   0.22930   0.48810   0.50000
Fe1   0.12010   0.40630   0.00000
Fe2   0.95580   0.15560   0.50000
F1   0.81610   0.22390   0.50000
F2   0.11030   0.18050   0.25780
F3   0.28230   0.37320   0.74900
F4   0.46520   0.06780   0.75910
F5   0.05260   0.07830   0.50000
F6   0.50780   0.16920   0.00000
F7   0.28190   0.47040   0.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K1 0.01890 0.01460 0.02130 0.00410 0.00000 0.00000
K2 0.02090 0.01600 0.01870 0.00270 0.00000 0.00000
K3 0.02380 0.01940 0.01790 0.00580 0.00000 0.00000
K4 0.01700 0.01440 0.01860 -0.00180 0.00000 0.00000
Fe1 0.00910 0.00820 0.00930 0.00040 0.00000 0.00000
Fe2 0.01020 0.00910 0.00920 -0.00090 0.00000 0.00000
F1 0.03090 0.01190 0.02920 0.00710 0.00000 0.00000
F2 0.02620 0.02680 0.01550 -0.01110 0.00000 0.00000
F3 0.02030 0.02270 0.01950 0.00370 0.00000 0.00000
F4 0.01690 0.01830 0.01510 -0.00260 0.00000 0.00000
F5 0.02400 0.01620 0.02660 0.01000 0.00000 0.00000
F6 0.01870 0.01110 0.02220 0.00450 0.00000 0.00000
F7 0.01900 0.01260 0.02580 -0.00490 0.00000 0.00000