#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/29/1532937.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_1532937
loop_
_publ_author_name
'Jorgensen, J.D.'
'Avdeev, M.'
'Hinks, D.G.'
'Short, S.'
'Burley, J.C.'
_publ_section_title
;
 Crystal structure of the sodium cobaltate deuterate superconductor Nax Co
 O2 * 4x(D2 O)
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              214517-1
_journal_page_last               214517-10
_journal_volume                  68
_journal_year                    2003
_chemical_formula_sum            'Co Na0.61 O2'
_chemical_name_systematic        'Na0.61 (Co O2)'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   2.83176
_cell_length_b                   2.83176
_cell_length_c                   10.8431
_cell_volume                     75.300
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Jorgensen_PRBMDO_2003_1978.cif
_cod_data_source_block           Co1Na0.61O2
_cod_original_cell_volume        75.30034
_cod_original_formula_sum        'Co1 Na0.61 O2'
_cod_database_code               1532937
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Na2 Na+1 0 0 0.25 0.171 0.0
Co1 Co+3 0 0 0 1 0.0
O1 O-2 0.3333 0.6667 0.09057 1 0.0
Na1 Na+1 0.577 0.2885 0.25 0.146 0.0
