#------------------------------------------------------------------------------
#$Date: 2016-09-18 19:34:50 +0200 (dom 18 de sep de 2016) $
#$Revision: 186638 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529931.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_1529931
loop_
_publ_author_name
'Filipenko, O.S.'
'Pobedimskaya, E.A.'
'Ponomarev, V.I.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure synthetic barium silicate Na Ba3 (Si2 O7) (O H) with
 linear diorthogroup (Si2 O7)
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              591
_journal_page_last               593
_journal_volume                  200
_journal_year                    1971
_chemical_formula_sum            'Ba3 H Na O8 Si2'
_chemical_name_systematic        'Na Ba3 (Si2 O7) (O H)'
_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                   5.791
_cell_length_b                   5.791
_cell_length_c                   14.748
_cell_volume                     428.323
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Filipenko_DANKAS_1971_322.cif
_cod_data_source_block           H1Ba3Na1O8Si2
_cod_original_cell_volume        428.3225
_cod_original_formula_sum        'H1 Ba3 Na1 O8 Si2'
_cod_database_code               1529931
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
_atom_site_attached_hydrogens
Ba2 Ba+2 0.3333 0.6667 0.5782 1 0.0 0
Na1 Na+1 0 0 0 1 0.0 0
O3 O-2 0.3333 0.6667 0.75 1 0.0 1
Si1 Si+4 0.3333 0.6667 0.139 1 0.0 0
Ba1 Ba+2 0 0 0.25 1 0.0 0
O1 O-2 0.185 0.37 0.1 1 0.0 0
O2 O-2 0.3333 0.6667 0.25 1 0.0 0
