data_global
_amcsd_formula_title 'CuFe2F8(H2O)2'
loop_
_publ_author_name
'Leblanc M'
'Ferey G'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 13
_journal_page_last 15
_publ_section_title
;
 Room-temperature structure of diaquaoctafluorocopper(II)diiron(III)
;
_database_code_amcsd 0010087
_chemical_formula_sum 'Cu Fe2 F8 O2 H4'
_cell_length_a 7.541
_cell_length_b 7.501
_cell_length_c 13.027
_cell_angle_alpha 90
_cell_angle_beta 90.52
_cell_angle_gamma 90
_cell_volume 736.842
_exptl_crystal_density_diffrn      3.275
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-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
_atom_site_U_iso_or_equiv
Cu   0.25000   0.25000   0.00000   0.01444
Fe   0.25000   0.04490   0.25260   0.00811
F1   0.30160   0.29640   0.26800   0.01874
F2   0.25360   0.07520   0.10650   0.02077
F3   0.24700   0.02430   0.39770   0.02242
F4   0.00000   0.09870   0.25000   0.02115
F5   0.00000   0.49460   0.25000   0.01988
OW   0.49340   0.25000   0.50140   0.03736
H1   0.42000   0.17000   0.46100   0.02533
H2   0.07300   0.16600   0.45800   0.02533