data_global
_chemical_name_mineral 'Feroxyhyte'
loop_
_publ_author_name
'Drits V A'
'Sakharov B A'
'Manceau A'
_journal_name_full 'Clay Minerals'
_journal_volume 28 
_journal_year 1993
_journal_page_first 209
_journal_page_last 222
_publ_section_title
;
 Structure of feroxyhite as determined by simulation of X-ray diffraction curves
;
_database_code_amcsd 0021201
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe.5 (O H.5)'
_cell_length_a 2.947
_cell_length_b 2.947
_cell_length_c 4.56
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 34.297
_exptl_crystal_density_diffrn      4.302
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1   0.00000   0.00000   0.06500   0.25000
Fe2   0.00000   0.00000   0.43500   0.25000
O   0.33333   0.66667   0.25000   0.50000
O-H   0.33333   0.66667   0.25000   0.50000