#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/38/4343888.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_4343888
loop_
_publ_author_name
'Park, S.'
'Lee, Y.'
'Elcombe, M.'
'Vogt, T.'
_publ_section_title
;
 Synthesis and structure of the bilayer hydrate Na0.3 Ni O2 . 1.3D2 O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3490
_journal_page_last               3492
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'D2.6 Na0.3 Ni O3.3'
_chemical_name_systematic        'Na0.3 Ni O2 (D2 O)1.3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.89
_cell_length_b                   2.9361
_cell_length_c                   10.542
_cell_volume                     144.103
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Park_INOCAJ_2006_770.cif
_cod_data_source_block           D2.6Na0.3Ni1O3.3
_cod_original_cell_volume        144.1034
_cod_original_formula_sum        'D2.6 Na0.3 Ni1 O3.3'
_cod_database_code               4343888
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
O1 O-2 0.719 0 0.0926 1 0.0
Na1 Na+1 0.11 0 0.52 0.15 0.0
D1 D+1 0.069 0.239 0.326 0.65 0.0
Ni1 Ni+3 0 0 0 1 0.0
O2 O-2 0.323 0 0.63 0.65 0.0
