data_global
_chemical_name_mineral 'Rokuhnite'
loop_
_publ_author_name
'Morosin B'
'Graeber E J'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 42 
_journal_year 1965
_journal_page_first 898
_journal_page_last 901
_publ_section_title
;
 Crystal structures of manganese(II) and iron(II) chloride dihydrate
;
_database_code_amcsd 0012973
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe Cl2 O2 H4'
_cell_length_a 7.355
_cell_length_b 8.548
_cell_length_c 3.637
_cell_angle_alpha 90
_cell_angle_beta 98.18
_cell_angle_gamma 90
_cell_volume 226.334
_exptl_crystal_density_diffrn      2.389
_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
_atom_site_U_iso_or_equiv
Fe   0.00000   0.00000   0.00000 ?
Cl   0.23866   0.00000   0.55844 ?
O   0.00000   0.24273   0.00000 ?
H   0.09640   0.32600   0.09900   0.04661
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
Fe 0.02596 0.02608 0.02328 0.00000 0.00066 0.00000
Cl 0.02579 0.03672 0.02064 0.00000 0.00120 0.00000
O 0.03952 0.02549 0.04091 0.00000 -0.01972 0.00000