#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/01/9010139.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_9010139
loop_
_publ_author_name
'Bosi, F.'
'Halenius, U.'
'Andreozzi, G. B.'
'Skogby, H.'
'Lucchesi, S.'
_publ_section_title
;
 Structural refinement and crystal chemistry of Mn-doped spinel: A case for
 tetrahedrally coordinated Mn3+ in an oxygen-based structure
 Sample: MgMn01
;
_journal_name_full               'American Mineralogist'
_journal_page_first              27
_journal_page_last               33
_journal_paper_doi               10.2138/am.2007.2266
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'Al1.992 Mg0.994 Mn0.015 O4'
_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                   8.0883
_cell_length_b                   8.0883
_cell_length_c                   8.0883
_cell_formula_units_Z            8
_cell_volume                     529.141
_database_code_amcsd             0004260
_exptl_crystal_density_diffrn    3.583
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg.994 Al1.992 Mn.015 O4'
_cod_database_code               9010139
loop_
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x,y,z
x,1/2+y,1/2+z
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+y,1/2-z,3/4+x
1/4+y,-z,1/4+x
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3/4-x,+y,3/4-z
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1/4-x,+y,1/4-z
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1/2-z,-y,1/2-x
y,1/2+x,1/2+z
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1/2+y,+x,1/2+z
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1/2-x,1/2-z,-y
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z,1/2+y,1/2+x
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3/4+z,1/4+x,1/2-y
3/4+z,3/4+x,-y
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1/4+z,3/4+x,1/2-y
3/4-y,1/4-z,1/2+x
3/4-y,3/4-z,+x
1/4-y,1/4-z,+x
1/4-y,3/4-z,1/2+x
3/4+x,1/4+y,1/2-z
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1/4+x,1/4+y,-z
1/4+x,3/4+y,1/2-z
3/4-z,1/4-x,1/2+y
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1/4-z,3/4-x,1/2+y
3/4+y,1/4+z,1/2-x
3/4+y,3/4+z,-x
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1/4+y,3/4+z,1/2-x
3/4-x,1/4-y,1/2+z
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1/2-x,1/4+y,3/4+z
z,3/4-x,3/4-y
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1/4+x,1/2-z,3/4+y
1/4+x,-z,1/4+y
3/4+x,1/2-z,1/4+y
3/4+x,-z,3/4+y
1/4-z,1/2+y,3/4-x
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1/4+y,1/2-x,3/4+z
1/4+y,-x,1/4+z
3/4+y,1/2-x,1/4+z
3/4+y,-x,3/4+z
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1/4-x,3/4-z,1/2+y
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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
1/4-y,1/4-x,z
3/4+x,3/4+z,-y
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
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
1/4+y,1/4+x,-z
-z,-x,-y
-z,1/2-x,1/2-y
1/2-z,-x,1/2-y
1/2-z,1/2-x,-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
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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
MgT 0.12500 0.12500 0.12500 0.76000
AlT 0.12500 0.12500 0.12500 0.23400
Mn2+T 0.12500 0.12500 0.12500 0.00300
Mn3+T 0.12500 0.12500 0.12500 0.00300
AlM 0.50000 0.50000 0.50000 0.87900
MgM 0.50000 0.50000 0.50000 0.11700
Mn2+M 0.50000 0.50000 0.50000 0.00150
Mn3+M 0.50000 0.50000 0.50000 0.00300
O 0.26213 0.26213 0.26213 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004260
