The structure described by BC2N crystallizes in the orthorhombic P222_1 space group. B(1) is bonded to two equivalent C(2) and two equivalent N(1) atoms to form BC2N2 tetrahedra that share corners with four equivalent B(1)C2N2 tetrahedra and corners with eight equivalent C(1)C2N2 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent C(2) and two equivalent N(1) atoms to form distorted CC2N2 tetrahedra that share corners with four equivalent C(1)C2N2 tetrahedra and corners with eight equivalent B(1)C2N2 tetrahedra. In the second C site, C(2) is bonded to two equivalent B(1) and two equivalent C(1) atoms to form distorted CB2C2 tetrahedra that share corners with four equivalent C(2)B2C2 tetrahedra and corners with eight equivalent N(1)B2C2 tetrahedra. N(1) is bonded to two equivalent B(1) and two equivalent C(1) atoms to form NB2C2 tetrahedra that share corners with four equivalent N(1)B2C2 tetrahedra and corners with eight equivalent C(2)B2C2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BC2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.602
_cell_length_b   3.608
_cell_length_c   3.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   47.441
_cell_formula_units_Z   2
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  0.747  0.500  0.000  1.0
  B  B1  1  0.253  0.000  0.000  1.0
  C  C2  1  0.745  0.000  0.500  1.0
  C  C3  1  0.255  0.500  0.500  1.0
  C  C4  1  0.500  0.750  0.742  1.0
  C  C5  1  0.500  0.250  0.258  1.0
  N  N6  1  0.000  0.250  0.742  1.0
  N  N7  1  0.000  0.750  0.258  1.0
[/CIF]
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The structure described by BC2N crystallizes in the orthorhombic P222_1 space group. B(1) is bonded to two equivalent C(2) and two equivalent N(1) atoms to form BC2N2 tetrahedra that share corners with four equivalent B(1)C2N2 tetrahedra and corners with eight equivalent C(1)C2N2 tetrahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent C(2) and two equivalent N(1) atoms to form distorted CC2N2 tetrahedra that share corners with four equivalent C(1)C2N2 tetrahedra and corners with eight equivalent B(1)C2N2 tetrahedra. In the second C site, C(2) is bonded to two equivalent B(1) and two equivalent C(1) atoms to form distorted CB2C2 tetrahedra that share corners with four equivalent C(2)B2C2 tetrahedra and corners with eight equivalent N(1)B2C2 tetrahedra. N(1) is bonded to two equivalent B(1) and two equivalent C(1) atoms to form NB2C2 tetrahedra that share corners with four equivalent N(1)B2C2 tetrahedra and corners with eight equivalent C(2)B2C2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_BC2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.602
_cell_length_b   3.608
_cell_length_c   3.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   47.441
_cell_formula_units_Z   2
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  0.747  0.500  0.000  1.0
  B  B1  1  0.253  0.000  0.000  1.0
  C  C2  1  0.745  0.000  0.500  1.0
  C  C3  1  0.255  0.500  0.500  1.0
  C  C4  1  0.500  0.750  0.742  1.0
  C  C5  1  0.500  0.250  0.258  1.0
  N  N6  1  0.000  0.250  0.742  1.0
  N  N7  1  0.000  0.750  0.258  1.0
[/CIF]
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