#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009226.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_9009226
loop_
_publ_author_name
'Righter, K.'
'Downs, R. T.'
_publ_section_title
;The crystal structures of synthetic Re- and PGE-bearing magnesioferrite
 spinels: Implications for impacts, accretion and the mantle Sample: 116
;
_journal_name_full               'Geophysical Research Letters'
_journal_page_first              619
_journal_page_last               622
_journal_paper_doi               10.1029/2000GL012184
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     (Fe.680Mg.282Re.038)2(Fe.784Mg.216)O4
_chemical_formula_sum            'Fe2.144 Mg0.78 O4 Re0.076'
_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                   8.4055
_cell_length_b                   8.4055
_cell_length_c                   8.4055
_cell_formula_units_Z            8
_cell_volume                     593.869
_database_code_amcsd             0012667
_exptl_crystal_density_diffrn    4.851
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2.144 Mg.78 Re.076 O4'
_cod_database_code               9009226
_amcsd_formula_title             (Fe.680Mg.282Re.038)2(Fe.784Mg.216)O4
loop_
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x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
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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3/4+x,1/4+y,1/2-z
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1/4+x,3/4+y,1/2-z
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1/4-x,3/4-z,1/2+y
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1/4+z,3/4+y,1/2-x
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3/4-y,3/4-x,z
3/4-y,1/4-x,1/2+z
1/4-y,3/4-x,1/2+z
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3/4+y,1/4+x,1/2-z
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y,z,x
y,1/2+z,1/2+x
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z,1/2+x,1/2+y
1/2+z,x,1/2+y
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1/2-y,-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
FeM 0.50000 0.50000 0.50000 0.68000 0.00811
MgM 0.50000 0.50000 0.50000 0.28200 0.00811
ReM 0.50000 0.50000 0.50000 0.03800 0.00811
FeT 0.12500 0.12500 0.12500 0.78400 0.00671
MgT 0.12500 0.12500 0.12500 0.21600 0.00671
O 0.25700 0.25700 0.25700 1.00000 0.00988
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012667
