#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527606.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_1527606
loop_
_publ_author_name
'de Pater, C.J.'
_publ_section_title
;
 Disordered structure of Na2 C O3 at 400 C
;
_journal_name_full               'Physica B and C (Netherland) (79,1975-)'
_journal_page_first              89
_journal_page_last               95
_journal_volume                  96
_journal_year                    1979
_chemical_formula_sum            'C Na2 O3'
_chemical_name_systematic        'Na2 (C O3)'
_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                 96.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.013
_cell_length_b                   5.237
_cell_length_c                   6.312
_cell_volume                     295.819
_citation_journal_id_ASTM        PHBCDQ
_cod_data_source_file            dePater_PHBCDQ_1979_695.cif
_cod_data_source_block           C1Na2O3
_cod_original_cell_volume        295.8189
_cod_original_formula_sum        'C1 Na2 O3'
_cod_database_code               1527606
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 0.104 0.303 0.275 1 0.0
C1 C+4 0.163 0.5 0.251 1 0.0
Na1 Na+1 0 0 0 1 0.0
Na2 Na+1 0 0 0.5 1 0.0
O2 O-2 0.283 0.5 0.198 1 0.0
Na3 Na+1 0.167 0.5 0.755 1 0.0
