#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520923.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_1520923
loop_
_publ_author_name
'Butel, M.'
'Gautier, L.'
'Delmas, C.'
_publ_section_title
;
 Cobalt oxyhydroxides obtained by 'chimie douce' reactions: structure and
 electronic conductivity properties
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              271
_journal_page_last               284
_journal_volume                  122
_journal_year                    1999
_chemical_formula_sum            'Co H0.79 K0.25 Na0.06 O2.3'
_chemical_name_systematic        'H0.19 Na0.06 K0.25 Co O2 (H2 O)0.3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   2.83
_cell_length_b                   2.83
_cell_length_c                   20.3727
_cell_volume                     141.303
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Butel_SSIOD3_1999_755.cif
_cod_data_source_block           H0.79Co1K0.25Na0.06O2.3
_cod_original_cell_volume        141.3032
_cod_original_formula_sum        'H0.79 Co1 K0.25 Na0.06 O2.3'
_cod_database_code               1520923
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z
x,x-y,z
-x+y,y,z
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+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
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+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Co1 Co+3 0 0 0 1 0.0
Na1 Na+1 0 0 0.1727 0.06 0.0
O2 O-2 0 0 0.6179 1 0.0
O3 O-2 0 0 0.1428 0.3 0.0
K1 K+1 0 0 0.1727 0.25 0.0
O1 O-2 0 0 0.374 1 0.0
