#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/36/9013669.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_9013669
loop_
_publ_author_name
'Lenaz, D.'
'Logvinova, A. M.'
'Princivalle, F.'
'Sobolev, N. V.'
_publ_section_title
;
 Structural parameters of chromite included in diamond and kimberlites
 from Siberia: A new tool for discriminating ultramafic source
 Note: sample Mr-1a
;
_journal_name_full               'American Mineralogists'
_journal_page_first              1067
_journal_page_last               1070
_journal_paper_doi               10.2138/am.2009.3165
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source
'Mir mine, Malo-Botuobiya kimberlite field, Russia'
_chemical_formula_sum
'Al0.219 Cr1.56 Fe0.597 Mg0.574 Mn0.009 Ni0.002 O4 Ti0.036'
_chemical_name_mineral           Chromite
_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                   8.3390
_cell_length_b                   8.3390
_cell_length_c                   8.3390
_cell_formula_units_Z            8
_cell_volume                     579.885
_database_code_amcsd             0004966
_exptl_crystal_density_diffrn    4.597
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Mg.574 Al.219 Mn.009 Fe.597 Ti.036 Cr1.56 Ni.002 O4'
_cod_database_code               9013669
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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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
MgT 0.12500 0.12500 0.12500 0.52200 0.00790
AlT 0.12500 0.12500 0.12500 0.02300 0.00790
MnT 0.12500 0.12500 0.12500 0.00900 0.00790
Fe2+T 0.12500 0.12500 0.12500 0.43000 0.00790
Fe3+T 0.12500 0.12500 0.12500 0.01500 0.00790
MgM 0.50000 0.50000 0.50000 0.02600 0.00540
AlM 0.50000 0.50000 0.50000 0.09800 0.00540
TiM 0.50000 0.50000 0.50000 0.01800 0.00540
CrM 0.50000 0.50000 0.50000 0.78000 0.00540
Fe2+M 0.50000 0.50000 0.50000 0.00700 0.00540
Fe3+M 0.50000 0.50000 0.50000 0.06900 0.00540
NiM 0.50000 0.50000 0.50000 0.00100 0.00540
O 0.26197 0.26197 0.26197 1.00000 0.00700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004966
