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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/62/2106297.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106297
loop_
_publ_author_name
'Dubbeldam, G.C.'
'de Wolff, P.M.'
_publ_section_title
;
 The average crystal structure of gamma Na2 C O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2665
_journal_page_last               2667
_journal_volume                  25
_journal_year                    1969
_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                 101.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9
_cell_length_b                   5.24
_cell_length_c                   6.04
_cell_volume                     276.317
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Dubbeldam_ACBCAR_1969_1787.cif
_cod_data_source_block           C1Na2O3
_cod_original_cell_volume        276.3168
_cod_original_formula_sum        'C1 Na2 O3'
_cod_database_code               2106297
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
C1 C+4 0.163 0.488 0.251 0.5 0.0
O2 O-2 0.291 0.491 0.173 0.5 0.0
O1 O-2 0.123 0.255 0.314 0.5 0.0
O3 O-2 0.079 0.676 0.255 0.5 0.0
Na2 Na+1 0 0.022 0.5 0.5 0.0
Na1 Na+1 0 0.018 0 0.5 0.0
Na3 Na+1 0.172 0.544 0.749 0.5 0.0
