#------------------------------------------------------------------------------
#$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $
#$Revision: 86000 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014816.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_9014816
loop_
_publ_author_name
'Ardit, M.'
'Cruciani, G.'
'Dondi, M.'
_publ_section_title
;
 Structural relaxation in tetrahedrally coordinated Co2+ along
 the gahnite-Co-aluminate spinel solid solution
 Note: inversion parameter = 0.049, Co content = 0.75 apfu
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1394
_journal_page_last               1401
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Co0.75 O4 Zn0.25'
_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                   8.10011
_cell_length_b                   8.10011
_cell_length_c                   8.10011
_cell_volume                     531.463
_database_code_amcsd             0019262
_exptl_crystal_density_diffrn    4.462
_[local]_cod_cif_authors_sg_H-M  'F d 3 m'
_[local]_cod_chemical_formula_sum_orig 'Zn.25 Co.75 Al2 O4'
_cod_database_code               9014816
_amcsd_formula_title             Zn.25Co.75Al2O4
loop_
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1/4+x,1/2-y,3/4+z
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z,x,y
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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
ZnT 0.12500 0.12500 0.12500 0.25000 0.00480
CoT 0.12500 0.12500 0.12500 0.70100 0.00480
AlT 0.12500 0.12500 0.12500 0.04900 0.00480
AlM 0.50000 0.50000 0.50000 0.97550 0.00580
CoM 0.50000 0.50000 0.50000 0.02450 0.00580
O 0.26397 0.26397 0.26397 1.00000 0.00800