#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/72/9007217.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_9007217
loop_
_publ_author_name
'Martignago, F.'
'Dal Negro, A.'
'Carbonin, S.'
_publ_section_title
;How Cr3+ and Fe3+ affect Mg-Al order-disorder transformation at high
 temperature in natural spinels Sample: H-Cr, 2nd run, T = 450 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              401
_journal_page_last               408
_journal_paper_doi               10.1007/s00269-003-0336-0
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'Al1.834 Cr0.162 Mg0.995 Mn0.002 O4 Zn0.007'
_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                   8.1358
_cell_length_b                   8.1358
_cell_length_c                   8.1358
_cell_formula_units_Z            8
_cell_volume                     538.519
_database_code_amcsd             0008802
_diffrn_ambient_temperature      723.15
_exptl_crystal_density_diffrn    3.618
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.834 Mg.995 Cr.162 Mn.002 Zn.007 O4'
_cod_database_code               9007217
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
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
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3/4-y,1/4-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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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 0.09900 0.01050
MgT 0.12500 0.12500 0.12500 0.90100 0.01050
AlM 0.50000 0.50000 0.50000 0.86750 0.00880
MgM 0.50000 0.50000 0.50000 0.04700 0.00880
CrM 0.50000 0.50000 0.50000 0.08100 0.00880
MnM 0.50000 0.50000 0.50000 0.00100 0.00880
ZnM 0.50000 0.50000 0.50000 0.00350 0.00880
O 0.26358 0.26358 0.26358 1.00000 0.00980
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008802
