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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/03/11/4031199.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_4031199
loop_
_publ_author_name
'Gunawardane, R.P.'
'Cradwick, M.E.'
'Dent Glasser, L.S.'
_publ_section_title
;
 Crystal structure of Na2 Ba Si2 O6
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2397
_journal_page_last               2400
_journal_volume                  1973
_journal_year                    1973
_chemical_formula_sum            'Ba Na2 O6 Si2'
_chemical_name_systematic        'Na2 Ba Si2 O6'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.42
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.44
_cell_length_b                   4.758
_cell_length_c                   5.67
_cell_volume                     308.532
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Gunawardane_JCDTBI_1973_796.cif
_cod_data_source_block           Ba1Na2O6Si2
_cod_original_cell_volume        308.5319
_cod_original_formula_sum        'Ba1 Na2 O6 Si2'
_cod_database_code               4031199
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,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
Ba1 Ba+2 0.09715 0.25 0.2533 1 0.0
Na2 Na+1 0.3221 0.754 0.2887 1 0.0
O2 O-2 0.4736 0.26 0.774 1 0.0
Na1 Na+1 0.4869 0.247 0.1863 1 0.0
O1 O-2 0.3222 0.243 0.4 1 0.0
O3 O-2 0.1169 0.754 0.537 1 0.0
O5 O-2 0.2414 0.127 0.82 1 0.0
O6 O-2 0.3194 0.635 0.755 1 0.0
Si1 Si+4 0.3447 0.291 0.6778 1 0.0
Si2 Si+4 0.1933 0.799 0.7758 1 0.0
O4 O-2 0.1226 0.739 0.009 1 0.0
