#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/65/9006573.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_9006573
loop_
_publ_author_name
'Menegazzo, G.'
'Carbonin, S.'
_publ_section_title
;
 Oxidation mechanisms in Al-Mg-Fe spinels.
 A second stage: alpha-Fe2O3 exsolution
 Sample: TS11B5, quenched from T = 1150 C after 49 hours
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               547
_journal_paper_doi               10.1007/s002690050146
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum
'Al1.84 Cr0.078 Fe0.213 Mg0.776 Ni0.014 O4 Si0.003 Zn0.007'
_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                   8.1082
_cell_length_b                   8.1082
_cell_length_c                   8.1082
_cell_formula_units_Z            8
_cell_volume                     533.057
_database_code_amcsd             0008155
_exptl_crystal_density_diffrn    3.734
_exptl_crystal_thermal_history   'quenched from T = 1150 C after 49 hours'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Al1.84 Fe.213 Mg.776 Si.003 Zn.007 Cr.078 Ni.014 O4'
_cod_database_code               9006573
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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
AlT 0.12500 0.12500 0.12500 0.30130 0.00800
FeT3+ 0.12500 0.12500 0.12500 0.17360 0.00800
MgT 0.12500 0.12500 0.12500 0.47920 0.00800
MnT 0.12500 0.12500 0.12500 0.00020 0.00800
SiT 0.12500 0.12500 0.12500 0.00270 0.00800
ZnT 0.12500 0.12500 0.12500 0.00670 0.00800
AlM 0.50000 0.50000 0.50000 0.76950 0.00810
FeM3+ 0.50000 0.50000 0.50000 0.01970 0.00810
MgM 0.50000 0.50000 0.50000 0.14850 0.00810
CrM 0.50000 0.50000 0.50000 0.03910 0.00810
NiM 0.50000 0.50000 0.50000 0.00680 0.00810
TiM 0.50000 0.50000 0.50000 0.00020 0.00810
O 0.26038 0.26038 0.26038 1.00000 0.01350
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008155
