#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010602.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_1010602
_chemical_name_systematic          'Boron nitride'
_chemical_formula_structural       'B N'
_chemical_formula_sum              'B N'
_publ_section_title
;
An X-Ray Examination of the Structure of Boron Nitride
;
_publ_author_name                  'Brager, A'
_journal_name_full                 'Acta Physicochimica (USSR)'
_journal_coden_ASTM                ACPYAR
_journal_volume                    7
_journal_year                      1937
_journal_page_first                699
_journal_page_last                 706
_cell_length_a                     2.51
_cell_length_b                     2.51
_cell_length_c                     6.69
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       36.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -6'
_symmetry_Int_Tables_number        174
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,-z'
  '-y,x-y,-z'
  'y-x,-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  B3+    3.000
  N3-   -3.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  B1    B3+    1 b 0. 0. 0.5 1.  0 d
  B2    B3+    1 c 0.3333 0.6667 0. 1.  0 d
  N1    N3-    1 a 0. 0. 0. 1.  0 d
  N2    N3-    1 f 0.6667 0.3333 0.5 1.  0 d