The material described by B13N2 crystallizes in the trigonal R-3m space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to three equivalent B(2) and one N(1) atom. In the second B site, B(3) is bonded in a linear geometry to two equivalent N(1) atoms. In the third B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. N(1) is bonded to one B(3) and three equivalent B(1) atoms to form corner-sharing NB4 tetrahedra. is represented by the CIF card [CIF]
data_B13N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   5.212
_cell_angle_alpha   63.575
_cell_angle_beta   63.575
_cell_angle_gamma   63.575
_symmetry_Int_Tables_number   1
_cell_volume   108.039
_cell_formula_units_Z   1
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  0.680  0.197  0.197  1.0
  B  B1  1  0.197  0.197  0.680  1.0
  B  B2  1  0.197  0.680  0.197  1.0
  B  B3  1  0.803  0.320  0.803  1.0
  B  B4  1  0.320  0.803  0.803  1.0
  B  B5  1  0.803  0.803  0.320  1.0
  B  B6  1  0.669  0.995  0.995  1.0
  B  B7  1  0.995  0.995  0.669  1.0
  B  B8  1  0.995  0.669  0.995  1.0
  B  B9  1  0.005  0.331  0.005  1.0
  B  B10  1  0.331  0.005  0.005  1.0
  B  B11  1  0.005  0.005  0.331  1.0
  B  B12  1  0.500  0.500  0.500  1.0
  N  N13  1  0.615  0.615  0.615  1.0
  N  N14  1  0.385  0.385  0.385  1.0
[/CIF]
.
The material described by B13N2 crystallizes in the trigonal R-3m space group. There are three inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to three equivalent B(2) and one N(1) atom. In the second B site, B(3) is bonded in a linear geometry to two equivalent N(1) atoms. In the third B site, B(2) is bonded in a 6-coordinate geometry to three equivalent B(1) and three equivalent B(2) atoms. N(1) is bonded to one B(3) and three equivalent B(1) atoms to form corner-sharing NB4 tetrahedra. is represented by the CIF card [CIF]
data_B13N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.212
_cell_length_c   5.212
_cell_angle_alpha   63.575
_cell_angle_beta   63.575
_cell_angle_gamma   63.575
_symmetry_Int_Tables_number   1
_cell_volume   108.039
_cell_formula_units_Z   1
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  0.680  0.197  0.197  1.0
  B  B1  1  0.197  0.197  0.680  1.0
  B  B2  1  0.197  0.680  0.197  1.0
  B  B3  1  0.803  0.320  0.803  1.0
  B  B4  1  0.320  0.803  0.803  1.0
  B  B5  1  0.803  0.803  0.320  1.0
  B  B6  1  0.669  0.995  0.995  1.0
  B  B7  1  0.995  0.995  0.669  1.0
  B  B8  1  0.995  0.669  0.995  1.0
  B  B9  1  0.005  0.331  0.005  1.0
  B  B10  1  0.331  0.005  0.005  1.0
  B  B11  1  0.005  0.005  0.331  1.0
  B  B12  1  0.500  0.500  0.500  1.0
  N  N13  1  0.615  0.615  0.615  1.0
  N  N14  1  0.385  0.385  0.385  1.0
[/CIF]
.