#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/12/1511248.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_1511248
loop_
_publ_author_name
'Sokolova, E.V.'
'Khomyakov, A.P.'
_publ_section_title
;
 Crystal structure of a new natural Na-borosilicate with the framework of
 tridymite type.
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              879
_journal_page_last               883
_journal_volume                  319
_journal_year                    1991
_chemical_formula_sum            'B Na O4 Si'
_chemical_name_systematic        'Na B Si O4'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.035
_cell_length_b                   8.035
_cell_length_c                   7.703
_cell_volume                     430.688
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            boron0-1_368.cif
_cod_data_source_block           B1Na1O4Si1
_cod_original_cell_volume        430.6875
_cod_original_formula_sum        'B1 Na1 O4 Si1'
_cod_database_code               1511248
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
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
O2 O-2 0.138 0.252 0.474 1 0.0
Na2 Na+1 0.3333 0.6667 0.699 1 0.0
Na3 Na+1 0.3333 0.6667 0.27 1 0.0
O4 O-2 0.19 0.396 0.893 1 0.0
O3 O-2 0.271 0.371 0.221 1 0.0
B1 B+3 0.311 0.34 0.391 1 0.0
Na1 Na+1 0 0 0.232 1 0.0
Si1 Si+4 0.3146 0.3393 0.0178 1 0.0
O1 O-2 0.071 0.541 0.47 1 0.0
