#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/39/9003977.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_9003977
loop_
_publ_author_name
'Princivalle, F.'
'Martignago, F.'
'Dal Negro, A.'
_publ_section_title
;
 Kinetics of cation ordering in natural Mg(Al,Cr3+)2O4 spinels
 Sample: Sc, annealed at T = 650 C, ordering, t = 480 m
;
_journal_name_full               'American Mineralogist'
_journal_page_first              313
_journal_page_last               318
_journal_paper_doi               10.2138/am.2006.1894
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source
'Olkhon metamorphic complex, Lake Baikal, Russia'
_chemical_formula_sum            'Al1.614 Cr0.244 Mg1.142 O4'
_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                   8.1177
_cell_length_b                   8.1177
_cell_length_c                   8.1177
_cell_formula_units_Z            8
_cell_volume                     534.933
_database_code_amcsd             0004101
_exptl_crystal_density_diffrn    3.675
_exptl_crystal_thermal_history   'annealed at T = 650 C, ordering, t = 480 m'
_cod_original_cell_volume        534.932
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.142 Al1.614 Cr.244 O4'
_cod_database_code               9003977
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
MgT 0.12500 0.12500 0.12500 0.85800
AlT 0.12500 0.12500 0.12500 0.14200
AlM 0.50000 0.50000 0.50000 0.73600
MgM 0.50000 0.50000 0.50000 0.14200
Cr3+M 0.50000 0.50000 0.50000 0.12200
O 0.26277 0.26277 0.26277 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004101
