#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007202.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_9007202
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: M-Cr, 2nd run, T = 450 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              401
_journal_page_last               408
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'Al1.868 Cr0.123 Mg0.999 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                   8.1302
_cell_length_b                   8.1302
_cell_length_c                   8.1302
_cell_volume                     537.407
_diffrn_ambient_temperature      723.15
_exptl_crystal_density_diffrn    3.600
_[local]_cod_cif_authors_sg_H-M  'F d 3 m'
_[local]_cod_chemical_formula_sum_orig
'Al1.868 Mg.999 Cr.123 Mn.002 Zn.007 O4'
_cod_original_cell_volume        537.408
_cod_database_code               9007202
_amcsd_database_code             AMCSD#0008726
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,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
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3/4+y,1/2-z,1/4+x
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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
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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-y,1/4-z,+x
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3/4-z,1/4-x,1/2+y
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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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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 0.12400 0.01040
MgT 0.12500 0.12500 0.12500 0.87600 0.01040
AlM 0.50000 0.50000 0.50000 0.87200 0.00940
MgM 0.50000 0.50000 0.50000 0.06150 0.00940
CrM 0.50000 0.50000 0.50000 0.06150 0.00940
MnM 0.50000 0.50000 0.50000 0.00100 0.00940
ZnM 0.50000 0.50000 0.50000 0.00350 0.00940
O 0.26334 0.26334 0.26334 1.00000 0.01080