#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017640.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_9017640
loop_
_publ_author_name
'O'Driscoll B'
'Clay, P. L.'
'Cawthorn, P. L.'
'Lenaz, D.'
'Adetunji, J.'
'Kronz, A.'
_publ_section_title
;
 Trevorite: Ni-rich spinel formed by metasomatism and desulfurization processes
 at Bon Accord, South Africa?
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              145
_journal_page_last               163
_journal_volume                  78
_journal_year                    2014
_chemical_compound_source        'Bon Accord, South Africa'
_chemical_formula_sum            'Al0.01 Co0.02 Cr0.03 Fe2.42 Ni0.52 O4'
_chemical_name_mineral           Trevorite
_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                   8.3626
_cell_length_b                   8.3626
_cell_length_c                   8.3626
_cell_formula_units_Z            8
_cell_volume                     584.822
_database_code_amcsd             0020145
_exptl_crystal_density_diffrn    5.285
_cod_data_source_file            inputs/fixed/downloads/18/18547.cif
_cod_data_source_block           18547
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe2.42 Ni.52 Cr.03 Al.01 Co.02 O4'
_cod_database_code               9017640
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
3/4+z,1/2-x,1/4+y
3/4+z,-x,3/4+y
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
3/4-z,1/2+x,1/4-y
3/4-z,+x,3/4-y
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
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1/4+x,1/4+y,-z
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3/4-z,1/4-x,1/2+y
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3/4-x,3/4-z,y
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1/4-x,3/4-z,1/2+y
1/4-x,1/4-z,y
3/4+z,3/4+y,-x
3/4+z,1/4+y,1/2-x
1/4+z,3/4+y,1/2-x
1/4+z,1/4+y,-x
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+x,1/4+z,1/2-y
1/4+x,3/4+z,1/2-y
1/4+x,1/4+z,-y
3/4-z,3/4-y,x
3/4-z,1/4-y,1/2+x
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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1/2-z,1/2-x,-y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
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z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
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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
FeT 0.12500 0.12500 0.12500 1.00000 0.00410
NiM 0.50000 0.50000 0.50000 0.26000 0.00540
CrM 0.50000 0.50000 0.50000 0.01500 0.00540
AlM 0.50000 0.50000 0.50000 0.00500 0.00540
CoM 0.50000 0.50000 0.50000 0.01000 0.00540
FeM 0.50000 0.50000 0.50000 0.71000 0.00540
O 0.25550 0.25550 0.25550 1.00000 0.00670
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020145
