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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529747.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_1529747
loop_
_publ_author_name
'Cava, R.J.'
'Roth, R.S.'
'Santoro, A.'
'Zahurak, S.M.'
'Murphy, D.W.'
_publ_section_title
;
 Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe
 V3 O8
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              323
_journal_page_last               326
_journal_volume                  5
_journal_year                    1981
_chemical_formula_sum            'Li2 O3 Re'
_chemical_name_systematic        'Li2 (Re O3)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9711
_cell_length_b                   4.9711
_cell_length_c                   14.788
_cell_volume                     316.479
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Cava_SSIOD3_1981_681.cif
_cod_data_source_block           Li2O3Re1
_cod_original_cell_volume        316.4791
_cod_original_formula_sum        'Li2 O3 Re1'
_cod_database_code               1529747
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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
Re1 Re+4 0 0 0 1 0.0
Li1 Li+1 0 0 0.312 1 0.0
Li2 Li+1 0 0 0.169 1 0.0
O1 O-2 -0.358 -0.008 0.2551 1 0.0
