data_global
_amcsd_formula_title 'F8 Fe3 H4 O2'
loop_
_publ_author_name
'Leblanc M'
'Ferey G'
'Calage Y'
'De Pape R'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 53 
_journal_year 1984
_journal_page_first 360
_journal_page_last 368
_publ_section_title
;
 Idle spin behavior of the shifted hexagonal tungsten bronze type
 compounds Fe Fe2 F8 (H2O)2 and Mn Fe2 F8 (H2O)2
 _cod_database_code 1000193
;
_database_code_amcsd 0013528
_chemical_formula_sum 'Fe3 (O2 F8) H4'
_cell_length_a 7.609
_cell_length_b 7.514
_cell_length_c 7.453
_cell_angle_alpha 90
_cell_angle_beta 118.21
_cell_angle_gamma 90
_cell_volume 375.504
_exptl_crystal_density_diffrn      3.145
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.00000   0.50000   0.00000
Fe2   0.25000   0.25000   0.50000
Wat   0.24230   0.00000   0.04350
F1   0.00000   0.29250   0.50000
F2   0.18450   0.00000   0.44110
F3   0.12770   0.29520   0.21380