#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/49/9004943.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_9004943
loop_
_publ_author_name
'Lenaz, D.'
'Princivalle, F.'
_publ_section_title
;
 The crystal chemistry of detrital chromian spinel from the
 southeastern Alps and Outer Dinarides: The discrimination of
 supplies from areas of similar tectonic setting?
 Sample: BK 30
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1305
_journal_page_last               1314
_journal_paper_doi               10.2113/gscanmin.43.4.1305
_journal_volume                  43
_journal_year                    2005
_chemical_formula_sum
'Al0.944 Cr0.916 Fe0.472 Mg0.647 Ni0.003 O4 Ti0.015 Zn0.003'
_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                   8.2453
_cell_length_b                   8.2453
_cell_length_c                   8.2453
_cell_formula_units_Z            8
_cell_volume                     560.556
_database_code_amcsd             0006041
_exptl_crystal_density_diffrn    4.272
_cod_original_cell_volume        560.557
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum
'Al.944 Fe.472 Mg.647 Zn.003 Cr.916 Ni.003 Ti.015 O4'
_cod_database_code               9004943
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
3/4-x,1/2+y,1/4-z
3/4-x,+y,3/4-z
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1/4+z,3/4+x,1/2-y
3/4-y,1/4-z,1/2+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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1/4-z,1/4-x,+y
1/4-z,3/4-x,1/2+y
3/4+y,1/4+z,1/2-x
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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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y,3/4-z,3/4-x
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1/2+y,1/4-z,3/4-x
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3/4-y,1/2+x,1/4-z
3/4-y,+x,3/4-z
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1/4-z,+y,1/4-x
3/4-z,1/2+y,1/4-x
3/4-z,+y,3/4-x
1/4+y,1/2-x,3/4+z
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
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1/4+x,3/4+z,1/2-y
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3/4-z,3/4-y,x
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1/4-z,3/4-y,1/2+x
1/4-z,1/4-y,x
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3/4+y,1/4+x,1/2-z
1/4+y,3/4+x,1/2-z
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y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
-x,-y,-z
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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
AlT 0.12500 0.12500 0.12500 0.05600 0.00470
Fe2+T 0.12500 0.12500 0.12500 0.35900 0.00470
Fe3+T 0.12500 0.12500 0.12500 0.01700 0.00470
MgT 0.12500 0.12500 0.12500 0.56500 0.00470
ZnT 0.12500 0.12500 0.12500 0.00300 0.00470
AlM 0.50000 0.50000 0.50000 0.44400 0.00710
Fe2+M 0.50000 0.50000 0.50000 0.00050 0.00710
Fe3+M 0.50000 0.50000 0.50000 0.04750 0.00710
MgM 0.50000 0.50000 0.50000 0.04100 0.00710
CrM 0.50000 0.50000 0.50000 0.45800 0.00710
NiM 0.50000 0.50000 0.50000 0.00150 0.00710
TiM 0.50000 0.50000 0.50000 0.00750 0.00710
O 0.26246 0.26246 0.26246 1.00000 0.00800
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006041
