#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017612.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_9017612
loop_
_publ_author_name
'D'Ippolito V'
'Andreozzi, G. B.'
'Bosi, F.'
'Halenius, U.'
'Mantovani, L.'
'Bersani, D.'
'Fregola, R. A.'
_publ_section_title
;
 Crystallographic and spectroscopic characterization of a natural Zn-rich spinel
 approaching the endmember gahnite (ZnAl2O4) composition
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2941
_journal_page_last               2953
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Jemaa, Kaduna State, Nigeria'
_chemical_formula_sum            'Al1.99 Fe0.07 O4 Zn0.94'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.0850
_cell_length_b                   8.0850
_cell_length_c                   8.0850
_cell_formula_units_Z            8
_cell_volume                     528.494
_database_code_amcsd             0019968
_exptl_crystal_density_diffrn    4.602
_cod_data_source_file            inputs/fixed/downloads/18/18518.cif
_cod_data_source_block           18518
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.99 Fe.07 Zn.94 O4'
_cod_database_code               9017612
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
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3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
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3/4-z,1/2+x,1/4-y
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3/4+z,1/4+y,1/2-x
1/4+z,3/4+y,1/2-x
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3/4-z,3/4-y,x
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3/4+y,1/4+x,1/2-z
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y,z,x
y,1/2+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
AlM 0.50000 0.50000 0.50000 0.98000
Fe2+M 0.50000 0.50000 0.50000 0.01500
Fe3+M 0.50000 0.50000 0.50000 0.00500
ZnT 0.12500 0.12500 0.12500 0.94000
Fe2+T 0.12500 0.12500 0.12500 0.03000
AlT 0.12500 0.12500 0.12500 0.03000
O 0.26414 0.26414 0.26414 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019968
