#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/72/9007237.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_9007237
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: L-Fe, 3rd run, T = 800 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            'Al1.914 Fe0.08 Mg0.996 O4'
_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                   8.1547
_cell_length_b                   8.1547
_cell_length_c                   8.1547
_cell_formula_units_Z            8
_cell_volume                     542.280
_database_code_amcsd             0008822
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.535
_cod_original_cell_volume        542.281
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.914 Fe.08 Mg.996 O4'
_cod_database_code               9007237
loop_
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x,y,z
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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
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1/4+y,1/2-z,3/4+x
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3/4+x,1/4+y,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
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
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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
-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
-x,-y,-z
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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
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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
AlT 0.12500 0.12500 0.12500 0.24200 0.01480
FeT 0.12500 0.12500 0.12500 0.03600 0.01480
MgT 0.12500 0.12500 0.12500 0.71400 0.01480
AlM 0.50000 0.50000 0.50000 0.83600 0.01430
FeM 0.50000 0.50000 0.50000 0.02200 0.01430
MgM 0.50000 0.50000 0.50000 0.14100 0.01430
O 0.26159 0.26159 0.26159 1.00000 0.01860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008822
