#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/73/9007313.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_9007313
loop_
_publ_author_name
'Lenaz, D.'
'Skogby, H.'
'Princivalle, F.'
'Halenius, U.'
_publ_section_title
;Structural changes and valence states in the MgCr2O4-FeCr2O4 solid solution
 series Sample: Fe2-10
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              633
_journal_page_last               642
_journal_paper_doi               10.1007/s00269-004-0420-0
_journal_volume                  31
_journal_year                    2004
_chemical_formula_sum            'Cr1.996 Fe0.072 Mg0.932 O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3352
_cell_length_b                   8.3352
_cell_length_c                   8.3352
_cell_formula_units_Z            8
_cell_volume                     579.093
_database_code_amcsd             0008906
_exptl_crystal_density_diffrn    4.461
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg.932 Fe.072 Cr1.996 O4'
_cod_database_code               9007313
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
3/4+z,1/2-x,1/4+y
3/4+z,-x,3/4+y
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
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
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3/4-x,+y,3/4-z
1/4-x,1/2+y,3/4-z
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1/2-z,-y,1/2-x
y,1/2+x,1/2+z
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z,1/2+y,1/2+x
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1/2+z,+y,1/2+x
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1/2-y,1/2-x,-z
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3/4+z,1/4+x,1/2-y
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1/4+z,3/4+x,1/2-y
3/4-y,1/4-z,1/2+x
3/4-y,3/4-z,+x
1/4-y,1/4-z,+x
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3/4+x,1/4+y,1/2-z
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1/4+x,1/4+y,-z
1/4+x,3/4+y,1/2-z
3/4-z,1/4-x,1/2+y
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1/4+y,3/4+z,1/2-x
3/4-x,1/4-y,1/2+z
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z,3/4-x,3/4-y
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3/4-x,1/4-z,1/2+y
1/4-x,3/4-z,1/2+y
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3/4+z,1/4+y,1/2-x
1/4+z,3/4+y,1/2-x
1/4+z,1/4+y,-x
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
1/4-y,1/4-x,z
3/4+x,3/4+z,-y
3/4+x,1/4+z,1/2-y
1/4+x,3/4+z,1/2-y
1/4+x,1/4+z,-y
3/4-z,3/4-y,x
3/4-z,1/4-y,1/2+x
1/4-z,3/4-y,1/2+x
1/4-z,1/4-y,x
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
1/4+y,1/4+x,-z
-z,-x,-y
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
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1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,-z,-x
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
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
MgA 0.12500 0.12500 0.12500 0.93200 0.00440
FeA 0.12500 0.12500 0.12500 0.06800 0.00440
CrB 0.50000 0.50000 0.50000 0.99800 0.00280
FeB 0.50000 0.50000 0.50000 0.00200 0.00280
O 0.26119 0.26119 0.26119 1.00000 0.00390
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008906
