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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/24/4002459.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_4002459
loop_
_publ_author_name
'Branford, W.'
'Green, M.A.'
'Neumann, D.A.'
_publ_section_title
;
 Structure and ferromagnetism in Mn(4+) spinels: A M0.5 Mn1.5 O4 (A = Li,
 Cu; M = Ni, Mg)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1649
_journal_page_last               1656
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Li Mn1.5 Ni0.5 O4'
_chemical_name_systematic        'Li (Mn0.75 Ni0.25)2 O4'
_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_formula_units_Z            8
_cell_length_a                   8.16594
_cell_length_b                   8.16594
_cell_length_c                   8.16594
_cell_volume                     544.526
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Branford_CMATEX_2002_235.cif
_cod_data_source_block           Li1Mn1.5Ni0.5O4
_cod_original_formula_sum        'Li1 Mn1.5 Ni0.5 O4'
_cod_database_code               4002459
loop_
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-y,-x,-z
z,x,y
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z,-y+1/4,-x-3/4
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
O1 O-2 0.2632 0.2632 0.2632 1 0.0
Li1 Li+1 0.125 0.125 0.125 1 0.0
Mn1 Mn+4 0.5 0.5 0.5 0.75 0.0
Ni1 Ni+2 0.5 0.5 0.5 0.25 0.0
