#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/85/1538527.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_1538527
loop_
_publ_author_name
'Rieck, H.'
'Hoppe, R.'
_publ_section_title
;
 Ein neues Oxoniccolat: Li2 Ni O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              193
_journal_page_last               196
_journal_volume                  392
_journal_year                    1972
_chemical_formula_sum            'Li2 Ni 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                   3.743
_cell_length_b                   2.779
_cell_length_c                   9.026
_cell_volume                     93.887
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Rieck_ZAACAB_1972_418.cif
_cod_data_source_block           Li2Ni1O2
_cod_original_cell_volume        93.88662
_cod_original_formula_sum        'Li2 Ni1 O2'
_cod_database_code               1538527
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
Ni1 Ni+2 0 0.5 0.5 1 0.0
Li1 Li+1 0.5 0 0.293 1 0.0
O1 O-2 0 0 0.356 1 0.0
