#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/70/9007078.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_9007078
loop_
_publ_author_name
'Carbonin, S.'
'Martignago, F.'
'Menegazzo, G.'
'Dal Negro, A.'
_publ_section_title
;
 X-ray single-crystal study of spinels: in situ heating
 Sample: NAT, Heating, 1st run, T = 400 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              503
_journal_page_last               514
_journal_paper_doi               10.1007/s00269-002-0262-6
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'Al1.937 Cr0.061 Fe0.002 Mg0.996 O4 Zn0.004'
_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                   8.1190
_cell_length_b                   8.1190
_cell_length_c                   8.1190
_cell_formula_units_Z            8
_cell_volume                     535.190
_database_code_amcsd             0008663
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.575
_exptl_crystal_thermal_history   'heating, 1st run, T = 400 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.937 Mg.996 Zn.004 Cr.061 Fe.002 O4'
_cod_database_code               9007078
loop_
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1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
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1/4+x,1/2-y,3/4+z
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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 0.12800 0.00980
MgT 0.12500 0.12500 0.12500 0.86800 0.00980
ZnT 0.12500 0.12500 0.12500 0.00400 0.00980
AlM 0.50000 0.50000 0.50000 0.90450 0.00770
MgM 0.50000 0.50000 0.50000 0.06400 0.00770
CrM 0.50000 0.50000 0.50000 0.03050 0.00770
FeM 0.50000 0.50000 0.50000 0.00100 0.00770
O 0.26344 0.26344 0.26344 1.00000 0.00860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0008663
