#------------------------------------------------------------------------------
#$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $
#$Revision: 201816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/55/9015516.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9015516
loop_
_publ_author_name
'Ssu-Mien Fang'
_publ_section_title
;
 The crystal structure of sodium metaborate Na₃B₃O₆
;
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift für Kristallographie - Crystalline Materials
;
_journal_page_first              1
_journal_page_last               8
_journal_paper_doi               10.1524/zkri.1938.99.1.1
_journal_volume                  99
_journal_year                    1938
_chemical_formula_sum            'B Na O2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                111.48
_cell_angle_beta                 111.48
_cell_angle_gamma                111.48
_cell_formula_units_Z            2
_cell_length_a                   7.22(1)
_cell_length_b                   7.22(1)
_cell_length_c                   7.22(1)
_cell_volume                     266.011
_database_code_amcsd             0016948
_exptl_crystal_density_diffrn    2.464
_cod_duplicate_entry             1010015
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Na B O2'
_cod_database_code               9015516
_amcsd_formula_title             'B3 Na3 O6'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2-z,1/2-y
-z,-x,-y
1/2+y,1/2+x,1/2+z
y,z,x
1/2-z,1/2-y,1/2-x
-x,-y,-z
1/2+x,1/2+z,1/2+y
z,x,y
1/2-y,1/2-x,1/2-z
-y,-z,-x
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.69600 -0.19600 0.25000
B1 0.36200 0.13800 0.25000
O1 0.47900 0.02100 0.25000
O2 0.13800 0.36200 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016948
