#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/73/9007355.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_9007355
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: Annealing temperature and time T = 600 C, t = 452 h
;
_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            'Al1.87 Fe0.74 Mg0.29 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                   8.1172
_cell_length_b                   8.1172
_cell_length_c                   8.1172
_cell_formula_units_Z            8
_cell_volume                     534.834
_database_code_amcsd             0008948
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.044
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 452 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.87 Fe.74 Mg.29 O4'
_cod_database_code               9007355
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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 0.21000 0.00820
Fe2+A 0.12500 0.12500 0.12500 0.35000 0.00820
Fe3+A 0.12500 0.12500 0.12500 0.19000 0.00820
MgA 0.12500 0.12500 0.12500 0.22000 0.00820
AlB 0.50000 0.50000 0.50000 0.83000 0.00630
Fe2+B 0.50000 0.50000 0.50000 0.04000 0.00630
Fe3+B 0.50000 0.50000 0.50000 0.06000 0.00630
MgB 0.50000 0.50000 0.50000 0.03500 0.00630
O 0.26178 0.26178 0.26178 1.00000 0.01080
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008948
