#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/72/9007258.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_9007258
loop_
_publ_author_name
'Lavina, B.'
'Reznitskii, L. Z.'
'Bosi, F.'
_publ_section_title
;Crystal chemistry of some Mg, Cr, V normal spinels from Sludyanka (Lake
 Baikal, Russia): the influence of V3+ on structural stability Sample: VRL2d
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              599
_journal_page_last               605
_journal_paper_doi               10.1007/s00269-003-0354-y
_journal_volume                  30
_journal_year                    2003
_chemical_compound_source        'Sludyanka, Lake Baikal, Russia'
_chemical_formula_sum
'Al0.078 Cr1.708 Fe0.003 Mg Mn0.002 O4 V0.15 Zn0.008'
_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                   8.3431
_cell_length_b                   8.3431
_cell_length_c                   8.3431
_cell_formula_units_Z            8
_cell_volume                     580.741
_database_code_amcsd             0008849
_exptl_crystal_density_diffrn    4.293
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Mg Fe.003 Mn.002 Zn.008 Al.078 V.15 Cr1.708 O4'
_cod_database_code               9007258
loop_
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x,y,z
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
1/4+y,-z,1/4+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+x,3/4-z,1/4-y
1/2+x,1/4-z,3/4-y
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1/2-z,1/4+y,3/4+x
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x,1/2+z,1/2+y
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1/2+x,+z,1/2+y
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1/2-z,1/2-y,-x
1/2-z,-y,1/2-x
y,1/2+x,1/2+z
y,+x,+z
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1/2-x,1/2-z,-y
1/2-x,-z,1/2-y
z,1/2+y,1/2+x
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1/2-y,1/2-x,-z
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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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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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y,3/4-z,3/4-x
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z,3/4-x,3/4-y
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1/4-y,+x,1/4-z
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3/4-y,+x,3/4-z
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1/4+y,-x,1/4+z
3/4+y,1/2-x,1/4+z
3/4+y,-x,3/4+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
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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
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
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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
Mg 0.12500 0.12500 0.12500 1.00000 0.00590
Fe2+ 0.12500 0.12500 0.12500 0.00300 0.00590
Mn2+ 0.12500 0.12500 0.12500 0.00200 0.00590
Zn 0.12500 0.12500 0.12500 0.00800 0.00590
Al 0.50000 0.50000 0.50000 0.03900 0.00470
V 0.50000 0.50000 0.50000 0.07500 0.00470
Cr 0.50000 0.50000 0.50000 0.85400 0.00470
O 0.26123 0.26123 0.26123 1.00000 0.00540
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008849
