#------------------------------------------------------------------------------
#$Date: 2023-03-27 08:00:38 +0100 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/78/9017845.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9017845
loop_
_publ_author_name
'Sinha, K. P.'
'Sinha, A. P. B.'
_publ_section_title
;
 Ein Fehlstellenuberstruktur - Modell fur gamma-Fe2O3
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              228
_journal_page_last               232
_journal_volume                  293
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe21 H O33'
_chemical_name_mineral           Maghemite
_space_group_IT_number           215
_space_group_name_Hall           'P -4 2 3'
_space_group_name_H-M_alt        'P -4 3 m'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.35
_cell_length_b                   8.35
_cell_length_c                   8.35
_cell_volume                     582.183
_database_code_amcsd             0020515
_exptl_crystal_density_diffrn    4.854
_cod_data_source_file            inputs/fixed/downloads/20/20547.cif
_cod_data_source_block           20547
_cod_original_formula_sum        'Fe21 O33 H'
_cod_database_code               9017845
loop_
_space_group_symop_operation_xyz
x,y,z
-z,x,-y
-y,z,-x
-x,y,-z
x,-z,-y
z,-y,-x
y,-x,-z
x,z,y
z,y,x
y,x,z
-z,-x,y
-y,-z,x
-x,-y,z
z,-x,-y
y,-z,-x
x,-y,-z
-x,z,-y
-z,y,-x
-y,x,-z
-x,-z,y
-z,-y,x
-y,-x,z
z,x,y
y,z,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe1 0.00000 0.00000 0.00000 1.00000
Fe2 0.50000 0.50000 0.50000 1.00000
Fe3 0.00000 0.50000 0.50000 1.00000
Fe4 0.25000 0.25000 0.25000 1.00000
Fe5 0.12500 0.12500 0.62500 1.00000
O1 0.37500 0.37500 0.37500 1.00000
O2 0.87500 0.87500 0.87500 1.00000
O3 0.87500 0.87500 0.37500 1.00000
O4 0.37500 0.37500 0.87500 1.00000
O-H1 0.62500 0.62500 0.62500 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020515