#------------------------------------------------------------------------------
#$Date: 2024-05-29 16:00:33 +0200 (Wed 29 de May de 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/76/9017651.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_9017651
loop_
_publ_author_name
'Guignard, J.'
'Crichton, W. A.'
_publ_section_title
;
 Synthesis and recovery of bulk Fe4O5 from magnetite, Fe3O4. A member of a self-
 similar series of structures for the lower mantle and transition zone
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              361
_journal_page_last               371
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4 O5'
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8964
_cell_length_b                   9.8225
_cell_length_c                   12.5808
_cell_formula_units_Z            4
_cell_volume                     357.922
_database_code_amcsd             0020436
_exptl_crystal_density_diffrn    5.630
_cod_data_source_file            inputs/fixed/downloads/18/18558.cif
_cod_data_source_block           18558
_cod_database_code               9017651
_amcsd_formula_title             Fe4O5
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+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
Fe1 0.00000 0.00000 0.00000 0.01700
Fe2 0.00000 0.26570 0.11600 0.02400
Fe3 0.00000 0.50750 0.25000 0.03000
O1 0.00000 0.17640 0.25000 -0.02400
O2 0.00000 0.35400 0.53740 0.00300
O3 0.00000 0.08940 0.64230 -0.01400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020436
