#------------------------------------------------------------------------------
#$Date: 2024-08-07 20:09:39 +0300 (Wed, 07 Aug 2024) $
#$Revision: 294031 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/57/9005768.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_9005768
loop_
_publ_author_name
'Ishii, M.'
'Hiraishi, J.'
'Yamanaka, T.'
_publ_section_title
;
 Structure and lattice vibrations of Mg-Al spinel solid solution
 Sample: Nonstoichiometric MgO.3Al2O3
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              64
_journal_page_last               68
_journal_paper_doi               10.1007/BF00309015
_journal_volume                  8
_journal_year                    1982
_chemical_formula_sum            'Al2.401 Mg0.398 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.0878
_cell_length_b                   8.0878
_cell_length_c                   8.0878
_cell_volume                     529.043
_database_code_amcsd             0007350
_exptl_crystal_density_diffrn    3.477
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg.398 Al2.401 O4'
_cod_database_code               9005768
loop_
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x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
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3/4+z,1/4-x,3/4+y
1/4+z,3/4-x,3/4+y
1/4+z,1/4-x,1/4+y
-y,1/2+z,1/2-x
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1/2-y,1/2+z,-x
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3/4+x,3/4-y,1/4+z
3/4+x,1/4-y,3/4+z
1/4+x,3/4-y,3/4+z
1/4+x,1/4-y,1/4+z
-z,1/2+x,1/2-y
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1/2-z,1/2+x,-y
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1/4+y,1/4-z,1/4+x
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3/4-z,3/4+y,1/4+x
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1/4+z,1/4+x,1/4-y
1/4+z,3/4+x,3/4-y
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3/4+x,3/4+y,1/4-z
1/4+x,1/4+y,1/4-z
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3/4+x,3/4+z,1/4-y
3/4+x,1/4+z,3/4-y
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1/4+x,1/4+z,1/4-y
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1/2-z,-y,1/2+x
1/2-z,1/2-y,x
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1/4+y,1/4+x,1/4-z
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1/4-z,3/4-x,3/4-y
3/4-z,1/4-x,3/4-y
3/4-z,3/4-x,1/4-y
y,z,x
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
1/4-x,1/4-y,1/4-z
1/4-x,3/4-y,3/4-z
3/4-x,1/4-y,3/4-z
3/4-x,3/4-y,1/4-z
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
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1/4-y,3/4-z,3/4-x
3/4-y,1/4-z,3/4-x
3/4-y,3/4-z,1/4-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg 0.00000 0.00000 0.00000 0.39800
Al1 0.00000 0.00000 0.00000 0.52900
Al2 0.62500 0.62500 0.62500 0.93600
O 0.38690 0.38690 0.38690 1.00000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.10.1
Id: cif_fix_AMCSD_atom_labels 10224 2024-08-07 11:09:31Z saulius
;
2024-08-07T19:39:30+03:00
;Changed the following '_atom_site_label' values:
the first duplicated label 'Al'  converted to 'Al1'
duplicated label 'Al' at index 2 converted to 'Al2'
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007350
