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#$Date: 2015-07-12 19:00:45 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147313 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526183.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_1526183
loop_
_publ_author_name
'Grygar, T.'
'Bezdicka, P.'
'Vorm, P.'
'Krtil, P.'
'Jordanova, N.'
_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            'Fe0.37 Li0.94 Mn1.7 O4'
_chemical_name_systematic        '(Li0.94 Fe0.06) (Fe0.31 Mn1.7) 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                   8.25895
_cell_length_b                   8.25895
_cell_length_c                   8.25895
_cell_volume                     563.345
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Grygar_JSSCBI_2001_1665.cif
_cod_data_source_block           Fe0.37Li0.94Mn1.7O4
_cod_original_cell_volume        563.3452
_cod_database_code               1526183
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
-x,z+1/4,y+1/4
-z+3/4,-x+1/4,y+1/2
x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
y+1/2,-z+3/4,-x+1/4
z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
-y+1/4,-z+1/4,x
z+1/4,-y,x+1/4
-z+1/2,y+1/4,x+3/4
-x,-y,-z
y,-x-1/4,-z-1/4
x-3/4,y-1/4,-z-1/2
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-x,y-1/4,z-1/4
-y-3/4,-x-1/4,z-1/2
x-3/4,-y,z-3/4
y,x,z
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x,z,y
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y-1/4,-z-1/2,x-3/4
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-x,-z+1/2,-y+1/2
y,z+1/2,x+1/2
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z+1/4,-y+1/2,x+3/4
-z+1/2,y+3/4,x+5/4
-x,-y+1/2,-z+1/2
y,-x+1/4,-z+1/4
x-3/4,y+1/4,-z
-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
-y-3/4,-x+1/4,z
x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
x,-z+1/4,-y+1/4
z-3/4,x+1/4,-y
-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
-y-1/2,z-1/4,x+1/4
-z-1/4,-y-1/4,x
y-1/4,-z,x-1/4
z,y,x
y-1/4,z+1/4,-x+1/2
-z-1/4,y+1/2,-x+1/4
z-1/2,-y+1/4,-x-1/4
x+1/2,y,z+1/2
-y+1/2,x+1/4,z+3/4
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x+5/4,z+1/4,-y+1
-z+5/4,x,-y+5/4
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z+1/2,y-1/2,x
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z+1/2,x+1/2,y
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z+3/4,y+5/4,-x+1/2
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x-1/4,y+1/4,-z-1/2
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x-1/4,-y+1/2,z-3/4
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z-1/4,x+1/4,-y-1/2
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-z+1/2,x+1/4,y-1/4
-x-1/4,-z+1/4,y-1/2
z-1/4,-x+1/2,y-3/4
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y+1/4,-z,x-3/4
z+1/2,y,x-1/2
y+1/4,z+1/4,-x
-z+1/4,y+1/2,-x-1/4
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 0.26361 0.26361 0.26361 1 0.0
Mn1 Mn+3 0.5 0.5 0.5 0.85 0.0
Li1 Li+1 0.125 0.125 0.125 0.94 0.0
Fe2 Fe+3 0.5 0.5 0.5 0.155 0.0
Fe1 Fe+3 0.125 0.125 0.125 0.06 0.0
