#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/38/9003898.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_9003898
loop_
_publ_author_name
'Martignago, F.'
'Andreozzi, G. B.'
'Dal Negro, A.'
_publ_section_title
;
 Thermodynamics and kinetics of cation ordering in natural and synthetic
 Mg(Al,Fe3+)2O4 spinels from in situ high-temperature X-ray diffraction
 Sample: MgFe20, T = 500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              306
_journal_page_last               312
_journal_paper_doi               10.2138/am.2006.1880
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al1.8 Fe0.2 Mg0.997 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1482
_cell_length_b                   8.1482
_cell_length_c                   8.1482
_cell_formula_units_Z            8
_cell_volume                     540.985
_database_code_amcsd             0004022
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    3.633
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg.997 Al1.8 Fe.2 O4'
_cod_database_code               9003898
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/4+z,-x,1/4+y
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1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
3/4+x,1/2-y,1/4+z
3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+z
3/4-z,1/2+x,1/4-y
3/4-z,+x,3/4-y
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y,1/2+z,1/2+x
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgT 0.12500 0.12500 0.12500 0.72200 0.01010
AlT 0.12500 0.12500 0.12500 0.19000 0.01010
FeT 0.12500 0.12500 0.12500 0.08800 0.01010
AlM 0.50000 0.50000 0.50000 0.80500 0.01130
MgM 0.50000 0.50000 0.50000 0.13750 0.01130
FeM 0.50000 0.50000 0.50000 0.05600 0.01130
O 0.26171 0.26171 0.26171 1.00000 0.01410
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004022
