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#$Date: 2015-07-12 18:58:40 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147303 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526173.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_1526173
loop_
_publ_author_name
'Grygar, T.'
'Bezdicka, P.'
'Vorm, P.'
'Jordanova, N.'
'Krtil, P.'
_publ_section_title
;
 Spinel solid solutions in the Li - Fe - Mn - O system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              152
_journal_page_last               160
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Fe0.71 Li0.47 Mn1.78 O4'
_chemical_name_systematic        '(Li0.47 Fe0.29 Mn0.23) (Fe0.42 Mn1.55) 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                   8.39248
_cell_length_b                   8.39248
_cell_length_c                   8.39248
_cell_volume                     591.114
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grygar_JSSCBI_2001_1660.cif
_cod_data_source_block           Fe0.71Li0.47Mn1.78O4
_cod_original_cell_volume        591.1136
_cod_database_code               1526173
loop_
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-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
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-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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-x,-z,-y
y,z,x
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y,x,z
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-x,y+1/4,z+1/4
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x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
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-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,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 0.26413 0.26413 0.26413 1 0.0
Mn1 Mn+3 0.125 0.125 0.125 0.226 0.0
Fe1 Fe+3 0.125 0.125 0.125 0.291 0.0
Mn2 Mn+3 0.5 0.5 0.5 0.777 0.0
Fe2 Fe+3 0.5 0.5 0.5 0.2095 0.0
Li1 Li+1 0.125 0.125 0.125 0.47 0.0
