#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007181.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9007181
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-Cr, 1st run, T = 200 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            'Al1.928 Cr0.066 Mg1.003 Mn0.001 O4 Zn0.002'
_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                   8.1018
_cell_length_b                   8.1018
_cell_length_c                   8.1018
_cell_volume                     531.795
_diffrn_ambient_temperature      473.15
_[local]_cod_cif_authors_sg_H-M  'F d 3 m'
_[local]_cod_chemical_formula_sum_orig
'Al1.928 Mg1.003 Cr.066 Mn.001 Zn.002 O4'
loop_
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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
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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
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
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1/2-y,-x,1/2-z
3/4+z,1/4+x,1/2-y
3/4+z,3/4+x,-y
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,1/4-z,+x
1/4-y,3/4-z,1/2+x
3/4+x,1/4+y,1/2-z
3/4+x,3/4+y,-z
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
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1/4+y,3/4+z,1/2-x
3/4-x,1/4-y,1/2+z
3/4-x,3/4-y,+z
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1/4-x,3/4-y,1/2+z
-z,3/4+x,3/4+y
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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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z,3/4-x,3/4-y
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1/4-x,3/4-z,1/2+y
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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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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
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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
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z,x,y
z,1/2+x,1/2+y
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1/2+z,1/2+x,y
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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
AlT 0.12500 0.12500 0.12500 0.11300 0.00700
MgT 0.12500 0.12500 0.12500 0.88700 0.00700
AlM 0.50000 0.50000 0.50000 0.90750 0.00580
MgM 0.50000 0.50000 0.50000 0.05800 0.00580
CrM 0.50000 0.50000 0.50000 0.03300 0.00580
MnM 0.50000 0.50000 0.50000 0.00050 0.00580
ZnM 0.50000 0.50000 0.50000 0.00100 0.00580
O 0.26355 0.26355 0.26355 1.00000 0.00610