#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/00/1540095.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_1540095
loop_
_publ_author_name
'Hoffmann, R.'
'Hoppe, R.'
'Schaefer, W.'
_publ_section_title
;
 Neutronenbeugung an Li2 Cu O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              18
_journal_page_last               26
_journal_volume                  578
_journal_year                    1989
_chemical_formula_sum            'Cu Li2 O2'
_chemical_name_systematic        'Li2 Cu O2'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.6322
_cell_length_b                   2.8405
_cell_length_c                   9.324
_cell_volume                     96.198
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hoffmann_ZAACAB_1989_1917.cif
_cod_data_source_block           Cu1Li2O2
_cod_original_cell_volume        96.19818
_cod_original_formula_sum        'Cu1 Li2 O2'
_cod_database_code               1540095
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
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
Li1 Li+1 0 0 0.7187 1 0.0
O1 O-2 0.5 0 0.6427 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
