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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/14/1541437.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1541437
loop_
_publ_author_name
'Irani, K.S.'
'Sinha, A.P.B.'
'Biswas, A.B.'
_publ_section_title
;
 Crystal Distortion in Spinels Containing Mn3+ Ions
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              101
_journal_page_last               111
_journal_volume                  17
_journal_year                    1960
_chemical_formula_sum            'Al0.625 Mg0.3125 Mn2.0625 O4'
_chemical_name_systematic        'Mg.3125 Mn2.0625 Al.625 O4'
_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                   8.34
_cell_length_b                   8.34
_cell_length_c                   8.34
_cell_volume                     580.094
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Irani_JPCSAW_1960_1224.cif
_cod_data_source_block           Al0.625Mg0.3125Mn2.0625O4
_cod_original_cell_volume        580.0938
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1541437
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mn1 Mn+2 0 0 0 0.6875 0.0
Mg2 Mg+2 0.625 0.625 0.625 0.135 0.0
O1 O-2 0.395 0.395 0.395 1 0.0
Mn3 Mn+3 0.625 0.625 0.625 0.594 0.0
Al2 Al+3 0 0 0 0.083 0.0
Mn2 Mn+3 0 0 0 0.1875 0.0
Al1 Al+3 0.625 0.625 0.625 0.271 0.0
Mg1 Mg+2 0 0 0 0.042 0.0
