#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538421.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538421
loop_
_publ_author_name
'Oles, A.'
'Szytula, A.'
'Wanic, A.'
_publ_section_title
;
 Neutron diffraction study of gamma-Fe O O H
;
_journal_name_full               'Physica Status Solidi'
_journal_page_first              173
_journal_page_last               177
_journal_volume                  41
_journal_year                    1970
_chemical_formula_sum            'Fe H O2'
_chemical_name_systematic        'Fe O (O H)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.06
_cell_length_b                   12.51
_cell_length_c                   3.87
_cell_volume                     148.146
_citation_journal_id_ASTM        PHSSAK
_cod_data_source_file            Oles_PHSSAK_1970_347.cif
_cod_data_source_block           H1Fe1O2
_cod_original_cell_volume        148.1459
_cod_original_formula_sum        'H1 Fe1 O2'
_cod_database_code               1538421
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H1 H+1 0 0 0 1 0.0
Fe1 Fe+3 0 0.325 0.25 1 0.0
O1 O-2 0 0.706 0.25 1 0.0
O2 O-2 0 0.925 0.25 1 0.0
