data_1008762
_chemical_name_systematic          'Iron(III) oxide hydroxide - $-delta'
_chemical_name_mineral             'Feroxyhyte'
_chemical_compound_source          'synthetic at 313-323 K'
_chemical_formula_structural       'Fe O (O H)'
_chemical_formula_sum              'H Fe O2'
_publ_section_title                'Structure locale de $-delta-Fe O O H'
loop_
_publ_author_name
  'Patrat, G'
  'de=Bergevin, F'
  'Pernet, M'
  'Joubert, J C'
_journal_name_full                 'Acta Crystallographica B (39,1983-)'
_journal_coden_ASTM                ASBSDK
_journal_volume                    39
_journal_year                      1983
_journal_page_first                165
_journal_page_last                 170
_cell_length_a                     2.95
_cell_length_b                     2.95
_cell_length_c                     4.56
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       34.4
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-y,-x,z'
  'x,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Fe3+   3.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Fe1   Fe3+   1 a 0. 0. 0. 0.5  0 d
  Fe2   Fe3+   1 b 0. 0. 0.5 0.5  0 d
  O1    O2-    2 d 0.3333 0.6667 0.246(8) 1.  0 d
  H1    H1+    2 d 0.3333 0.6667 0.510(14) 0.5  0 d