#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017077.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_9017077
loop_
_publ_author_name
'Ishii, T.'
'Kojitani, H.'
'Tsukamoto, S.'
'Fujino, K.'
'Mori, D.'
'Inaguma, Y.'
'Tsujino, N.'
'Yoshino, T.'
'Yamazaki, D.'
'Higo, Y.'
'Funakoshi, K.'
'Akaogi, M.'
_publ_section_title
;
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
 spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1788
_journal_page_last               1797
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Fe O4'
_chemical_name_mineral           Xieite
_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                   2.88445
_cell_length_b                   9.5207
_cell_length_c                   9.7532
_cell_formula_units_Z            4
_cell_volume                     267.842
_database_code_amcsd             0020400
_exptl_crystal_density_diffrn    5.551
_cod_data_source_file            inputs/fixed/downloads/05/05798.cif
_cod_data_source_block           05798
_cod_original_formula_sum        'Fe Cr2 O4'
_cod_database_code               9017077
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
Fe 0.00000 0.11280 0.25000 0.02220
Cr1 0.00000 0.36860 0.07140 0.00320
O1 0.00000 0.00000 0.00000 0.00600
O2 0.00000 0.46560 0.25000 0.00800
O3 0.00000 0.26400 0.61090 0.00800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020400
