#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017053.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_9017053
loop_
_publ_author_name
'Bosi, F.'
'Halenius, U.'
'Skogby, H.'
_publ_section_title
;
 Crystal chemistry of the ulvospinel-qandilite series.
 Note: sample T2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              847
_journal_page_last               851
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe1.768 Mg0.29 O4 Ti0.94'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.5184
_cell_length_b                   8.5184
_cell_length_c                   8.5184
_cell_formula_units_Z            8
_cell_volume                     618.122
_database_code_amcsd             0020134
_exptl_crystal_density_diffrn    4.616
_cod_data_source_file            inputs/fixed/downloads/05/05774.cif
_cod_data_source_block           05774
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg.29 Fe1.768 Ti.94 O4'
_cod_database_code               9017053
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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1/4+z,1/2-x,3/4+y
1/4+z,-x,1/4+y
3/4-y,1/2+z,1/4-x
3/4-y,+z,3/4-x
1/4-y,1/2+z,3/4-x
1/4-y,+z,1/4-x
3/4+x,1/2-y,1/4+z
3/4+x,-y,3/4+z
1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+z
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3/4-z,+x,3/4-y
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3/4+y,1/2-z,1/4+x
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3/4-y,1/4-z,1/2+x
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3/4+x,1/4+y,1/2-z
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1/4+z,3/4+y,1/2-x
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3/4-y,3/4-x,z
3/4-y,1/4-x,1/2+z
1/4-y,3/4-x,1/2+z
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3/4+y,1/4+x,1/2-z
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y,1/2+z,1/2+x
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1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
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 0.07400 0.01118
FeT 0.12500 0.12500 0.12500 0.92600 0.01118
MgM 0.50000 0.50000 0.50000 0.10800 0.00859
FeM 0.50000 0.50000 0.50000 0.42100 0.00859
TiM 0.50000 0.50000 0.50000 0.47000 0.00859
O 0.26099 0.26099 0.26099 1.00000 0.01430
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020134
