#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/76/1527666.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_1527666
loop_
_publ_author_name
'Koenig, H.'
'Hoppe, R.'
_publ_section_title
;
 Zur Kenntnis von Na3 B O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              225
_journal_page_last               232
_journal_volume                  434
_journal_year                    1977
_chemical_formula_sum            'B Na3 O3'
_chemical_name_systematic        'Na3 B O3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 127.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.687
_cell_length_b                   7.53
_cell_length_c                   9.993
_cell_volume                     341.086
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Koenig_ZAACAB_1977_793.cif
_cod_data_source_block           B1Na3O3
_cod_original_cell_volume        341.0858
_cod_original_formula_sum        'B1 Na3 O3'
_cod_database_code               1527666
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,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
Na2 Na+1 0.2956 0.4745 0.0437 1 0.0
O2 O-2 0.6117 0.2697 0.0499 1 0.0
Na3 Na+1 0.1909 0.8512 0.0693 1 0.0
Na1 Na+1 0.1509 0.2187 0.7785 1 0.0
B1 B+3 0.5844 0.1588 0.1533 1 0.0
O3 O-2 0.8334 0.0804 0.2914 1 0.0
O1 O-2 0.3162 0.1483 0.1263 1 0.0
