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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/1/53/02/1530217.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_1530217
loop_
_publ_author_name
'Krutzsch, B.'
'Kemmler-Sack, S.'
_publ_section_title
;
 Ueber das System Li1-y Mn Ru1-x Tix O4
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              111
_journal_page_last               123
_journal_volume                  124
_journal_year                    1986
_chemical_formula_sum            'Li Mn O4 Ru0.5 Ti0.5'
_chemical_name_systematic        '(Li.95 Ti.05) (Li.05 Mn Ru.5 Ti.45) 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                   8.315
_cell_length_b                   8.315
_cell_length_c                   8.315
_cell_volume                     574.893
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Krutzsch_JCOMAH_1986_1328.cif
_cod_data_source_block           Li1Mn1O4Ru0.5Ti0.5
_cod_original_cell_volume        574.8926
_cod_original_formula_sum        'Li1 Mn1 O4 Ru0.5 Ti0.5'
_cod_database_code               1530217
loop_
_symmetry_equiv_pos_as_xyz
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-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
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x+3/4,-z,y+3/4
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-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
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y,x,z
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-y-3/4,x+1/2,-z-1/4
-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
-z,-x+1/2,-y+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
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
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y-1/4,-z,x-1/4
z,y,x
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y+1/4,-z,x-3/4
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-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
Mn1 Mn+3 0.5 0.5 0.5 0.5 0.0
Li1 Li+1 0.125 0.125 0.125 0.95 0.0
Ti2 Ti+4 0.5 0.5 0.5 0.225 0.0
Ru1 Ru+4 0.5 0.5 0.5 0.25 0.0
O1 O-2 0.748 0.748 0.748 1 0.0
Ti1 Ti+4 0.125 0.125 0.125 0.05 0.0
Li2 Li+1 0.5 0.5 0.5 0.025 0.0
