#------------------------------------------------------------------------------
#$Date: 2015-10-05 14:08:34 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160069 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/37/1533791.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_1533791
loop_
_publ_author_name
'Strobel, P.'
'Ibarra-Palos, A.'
'Crisci, A.'
'Poinsignon, C.'
'Anne, M.'
_publ_section_title
;
 Cation ordering in Li2 Mn3 M O8 spinels: structural and vibration
 spectroscopy studies
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1009
_journal_page_last               1018
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Cu0.33 Li1.17 Mn1.5 O4'
_chemical_name_systematic        '(Li0.9 Cu0.1) ((Mn1.5 (Cu0.23 Li0.27)) O4)'
_space_group_IT_number           212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.1888
_cell_length_b                   8.1888
_cell_length_c                   8.1888
_cell_volume                     549.112
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Strobel_SSSCFJ_2003_932.cif
_cod_data_source_block           Cu0.33Li1.17Mn1.5O4
_cod_original_cell_volume        549.1118
_cod_database_code               1533791
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+3/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+1/4
x+1/2,-y+1/2,-z
y+1/4,x+3/4,-z+3/4
-x,y+1/2,-z+1/2
-y+1/4,-x+1/4,-z+1/4
z,x,y
-x+3/4,z+1/4,y+3/4
-z+1/2,-x,y+1/2
x+3/4,-z+3/4,y+1/4
z+1/2,-x+1/2,-y
x+1/4,z+3/4,-y+3/4
-z,x+1/2,-y+1/2
-x+1/4,-z+1/4,-y+1/4
y,z,x
y+1/2,-z+1/2,-x
z+1/4,y+3/4,-x+3/4
-y,z+1/2,-x+1/2
-z+1/4,-y+1/4,-x+1/4
-y+1/2,-z,x+1/2
z+3/4,-y+3/4,x+1/4
-z+3/4,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
Cu1 Cu+2 0.003 0.003 0.003 0.102 0.0
Li1 Li+1 0.003 0.003 0.003 0.898 0.0
O1 O-2 0.3863 0.3863 0.3863 1 0.0
Li2 Li+1 0.625 0.625 0.625 0.54 0.0
Mn1 Mn+4 0.125 0.3829 0.8671 1 0.0
O2 O-2 0.1265 0.1479 0.8583 1 0.0
Cu2 Cu+2 0.625 0.625 0.625 0.46 0.0
