#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/35/9003546.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_9003546
loop_
_publ_author_name
'Bosi, F.'
'Andreozzi, G. B.'
'Ferrini, V.'
'Lucchesi, S.'
_publ_section_title
;Behavior of cation vacany in kenotetrahedral Cr-spinels from Albanian eastern
 belt ophiolites Sample: N4x, Provenance is Bulqize, Bulqiza massif, Sequence
 is tectonite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1367
_journal_page_last               1373
_journal_volume                  89
_journal_year                    2004
_chemical_formula_sum
'Al1.238 Cr0.704 Fe0.304 Mg0.734 Mn0.004 Ni0.006 O4 Ti0.006'
_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                   8.1992
_cell_length_b                   8.1992
_cell_length_c                   8.1992
_cell_formula_units_Z            8
_cell_volume                     551.207
_database_code_amcsd             0003636
_exptl_crystal_density_diffrn    4.089
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum
'Al1.238 Fe.304 Mg.734 Mn.004 Cr.704 Ni.006 Ti.006 O4'
_cod_database_code               9003546
loop_
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1/2+x,y,1/2+z
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1/4+z,-x,1/4+y
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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
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1/4+x,1/2-y,3/4+z
1/4+x,-y,1/4+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 0.06400 0.00640
Fe2+T 0.12500 0.12500 0.12500 0.24600 0.00640
Fe3+T 0.12500 0.12500 0.12500 0.01200 0.00640
MgT 0.12500 0.12500 0.12500 0.67000 0.00640
MnT 0.12500 0.12500 0.12500 0.00400 0.00640
AlM 0.50000 0.50000 0.50000 0.58700 0.00490
Fe2+M 0.50000 0.50000 0.50000 0.00200 0.00490
Fe3+M 0.50000 0.50000 0.50000 0.02100 0.00490
MgM 0.50000 0.50000 0.50000 0.03200 0.00490
CrM 0.50000 0.50000 0.50000 0.35200 0.00490
NiM 0.50000 0.50000 0.50000 0.00300 0.00490
TiM 0.50000 0.50000 0.50000 0.00300 0.00490
O 0.26315 0.26315 0.26315 1.00000 0.00700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0003636
