#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/73/9007345.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_9007345
loop_
_publ_author_name
'Lavina, B.'
'Princivalle, F.'
'Della Giusta, A.'
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Unannealed
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.94 Fe0.76 Mg0.3 O4'
_chemical_name_mineral           Hercynite
_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                   8.1396
_cell_length_b                   8.1396
_cell_length_c                   8.1396
_cell_formula_units_Z            8
_cell_volume                     539.274
_database_code_amcsd             0008938
_exptl_crystal_density_diffrn    4.091
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.94 Fe.76 Mg.3 O4'
_cod_database_code               9007345
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,-x,1/4+y
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
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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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,3/4-z,1/2+x
3/4+x,1/4+y,1/2-z
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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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1/2-z,-x,1/2-y
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y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
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z,1/2+x,1/2+y
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
AlA 0.12500 0.12500 0.12500 0.18000 0.00750
Fe2+A 0.12500 0.12500 0.12500 0.62000 0.00750
Fe3+A 0.12500 0.12500 0.12500 0.02000 0.00750
MgA 0.12500 0.12500 0.12500 0.18000 0.00750
AlB 0.50000 0.50000 0.50000 0.88000 0.00450
Fe2+B 0.50000 0.50000 0.50000 0.04000 0.00450
Fe3+B 0.50000 0.50000 0.50000 0.02000 0.00450
MgB 0.50000 0.50000 0.50000 0.06000 0.00450
O 0.26344 0.26344 0.26344 1.00000 0.00890
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008938
