data_global
_amcsd_formula_title 'F5 Fe H4 Mn O2'
loop_
_publ_author_name
'Laligant Y'
'Pannetier J'
'Ferey G'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 66 
_journal_year 1987
_journal_page_first 242
_journal_page_last 250
_publ_section_title
;
 Ordered magnetic frustration. VI. Crystal and magnetic structures of
 the inverse Weberites Zn Fe F5 (H2 O)2 and Mn Fe F5 (H2 O)2
 at 1.5K from powder neutron diffraction
 _cod_database_code 1000230
;
_database_code_amcsd 0013592
_chemical_formula_sum 'Mn Fe F5 O2 H4'
_cell_length_a 7.475
_cell_length_b 10.766
_cell_length_c 6.594
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 530.658
_exptl_crystal_density_diffrn      3.027
_symmetry_space_group_name_H-M 'I m m 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mn1   0.00000   0.75000   0.75000
Fe1   0.25000   0.00000   0.00000
F1   0.29100   0.87300   0.19800
F2   0.70900   0.62600   0.30200
F3   0.00000   0.00000   0.07300
F4   0.00000   0.50000   0.42700
O1   0.50000   0.32100   0.94500
O2   0.50000   0.17900   0.55400
H1   0.10100   0.84000   0.36300
H2   0.89700   0.66000   0.13800