#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/55/1535516.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_1535516
loop_
_publ_author_name
'Morales, J.'
'Tirado, J.L.'
'Perez-Vicente, C.'
_publ_section_title
;
 Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              623
_journal_page_last               630
_journal_volume                  25
_journal_year                    1990
_chemical_formula_sum            'Li0.51 Ni1.16 O2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                33.01
_cell_angle_beta                 33.01
_cell_angle_gamma                33.01
_cell_formula_units_Z            1
_cell_length_a                   5.0515
_cell_length_b                   5.0515
_cell_length_c                   5.0515
_cell_volume                     34.046
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Morales_MRBUAC_1990_1811.cif
_cod_data_source_block           Li0.51Ni1.16O2
_cod_original_cell_volume        34.04606
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_database_code               1535516
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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 0.5 0.5 0.5 0.51 0.0
Ni2 Ni+3 0 0 0 0.92 0.0
O1 O-2 0.2586 0.2586 0.2586 1 0.0
Ni1 Ni+3 0.5 0.5 0.5 0.24 0.0
