The material described by BN crystallizes in the monoclinic Cm space group. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one N(4) and two equivalent N(3) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(4) atoms. In the fourth B site, B(4) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing BN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one B(1), one B(3), and two equivalent B(4) atoms to form corner-sharing NB4 tetrahedra. In the second N site, N(2) is bonded in a trigonal planar geometry to one B(4) and two equivalent B(1) atoms. In the third N site, N(3) is bonded in a trigonal planar geometry to one B(4) and two equivalent B(2) atoms. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_BN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   6.674
_cell_length_c   4.399
_cell_angle_alpha   89.490
_cell_angle_beta   89.490
_cell_angle_gamma   21.695
_symmetry_Int_Tables_number   1
_cell_volume   72.417
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  B  B0  1  0.000  0.000  0.001  1.0
  B  B1  1  0.200  0.200  0.572  1.0
  B  B2  1  0.866  0.866  0.619  1.0
  B  B3  1  0.532  0.532  0.502  1.0
  N  N4  1  0.981  0.981  0.657  1.0
  N  N5  1  0.506  0.506  0.157  1.0
  N  N6  1  0.647  0.647  0.556  1.0
  N  N7  1  0.312  0.312  0.607  1.0
[/CIF]
.
The material described by BN crystallizes in the monoclinic Cm space group. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(2) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one N(4) and two equivalent N(3) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(4) atoms. In the fourth B site, B(4) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing BN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one B(1), one B(3), and two equivalent B(4) atoms to form corner-sharing NB4 tetrahedra. In the second N site, N(2) is bonded in a trigonal planar geometry to one B(4) and two equivalent B(1) atoms. In the third N site, N(3) is bonded in a trigonal planar geometry to one B(4) and two equivalent B(2) atoms. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one B(2) and two equivalent B(3) atoms. is represented by the CIF card [CIF]
data_BN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.674
_cell_length_b   6.674
_cell_length_c   4.399
_cell_angle_alpha   89.490
_cell_angle_beta   89.490
_cell_angle_gamma   21.695
_symmetry_Int_Tables_number   1
_cell_volume   72.417
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  B  B0  1  0.000  0.000  0.001  1.0
  B  B1  1  0.200  0.200  0.572  1.0
  B  B2  1  0.866  0.866  0.619  1.0
  B  B3  1  0.532  0.532  0.502  1.0
  N  N4  1  0.981  0.981  0.657  1.0
  N  N5  1  0.506  0.506  0.157  1.0
  N  N6  1  0.647  0.647  0.556  1.0
  N  N7  1  0.312  0.312  0.607  1.0
[/CIF]
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