#------------------------------------------------------------------------------
#$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005477.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_9005477
loop_
_publ_author_name
'Andreozzi, G. B.'
'Lucchesi, S.'
'Skogby, H.'
'Della Giusta, A.'
_publ_section_title
;
 Compositional dependence of cation distribution in some synthetic
 (Mg,Zn)(Al,Fe)2O4 spinels
 Sample: Frk1a/d
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              391
_journal_page_last               402
_journal_volume                  13
_journal_year                    2001
_chemical_formula_sum            'Al1.763 Fe0.238 Mg0.851 O4 Zn0.148'
_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                   8.1242
_cell_length_b                   8.1242
_cell_length_c                   8.1242
_cell_volume                     536.219
_exptl_crystal_density_diffrn    3.845
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_6475'
_[local]_cod_cif_authors_sg_H-M  'F d 3 m'
_[local]_cod_chemical_formula_sum_orig 'Mg.851 Zn.148 Al1.763 Fe.238 O4'
_cod_database_code               9005477
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
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3/4+y,-z,3/4+x
1/4+y,1/2-z,3/4+x
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3/4-x,1/2+y,1/4-z
3/4-x,+y,3/4-z
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1/2-z,-y,1/2-x
y,1/2+x,1/2+z
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1/2+y,1/2+x,+z
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z,1/2+y,1/2+x
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1/2+z,1/2+y,+x
1/2+z,+y,1/2+x
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1/2-y,1/2-x,-z
1/2-y,-x,1/2-z
3/4+z,1/4+x,1/2-y
3/4+z,3/4+x,-y
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1/4+z,3/4+x,1/2-y
3/4-y,1/4-z,1/2+x
3/4-y,3/4-z,+x
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
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1/2+y,1/4-z,3/4-x
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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,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
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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
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
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1/2-x,-y,1/2-z
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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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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
MgT 0.12500 0.12500 0.12500 0.61800 0.00460
ZnT 0.12500 0.12500 0.12500 0.14800 0.00460
AlT 0.12500 0.12500 0.12500 0.15100 0.00460
FeT 0.12500 0.12500 0.12500 0.08300 0.00460
MgM 0.50000 0.50000 0.50000 0.11650 0.00500
AlM 0.50000 0.50000 0.50000 0.80600 0.00500
FeM 0.50000 0.50000 0.50000 0.07750 0.00500
O 0.26219 0.26219 0.26219 1.00000 0.00820