The compound described by B2CN is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded to three equivalent C(1) and one N(1) atom to form BC3N tetrahedra that share corners with six equivalent B(1)C3N tetrahedra and corners with six equivalent B(2)CN3 tetrahedra. In the second B site, B(2) is bonded to one C(1) and three equivalent N(1) atoms to form BCN3 tetrahedra that share corners with six equivalent B(1)C3N tetrahedra and corners with six equivalent B(2)CN3 tetrahedra. C(1) is bonded to one B(2) and three equivalent B(1) atoms to form CB4 tetrahedra that share corners with six equivalent C(1)B4 tetrahedra and corners with six equivalent N(1)B4 tetrahedra. N(1) is bonded to one B(1) and three equivalent B(2) atoms to form NB4 tetrahedra that share corners with six equivalent C(1)B4 tetrahedra and corners with six equivalent N(1)B4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.571
_cell_length_b   2.571
_cell_length_c   4.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   25.413
_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  0.000  0.000  0.171  1.0
  B  B1  1  0.333  0.667  0.642  1.0
  C  C2  1  0.333  0.667  0.004  1.0
  N  N3  1  0.000  0.000  0.513  1.0
[/CIF]
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The compound described by B2CN is Enargite-like structured and crystallizes in the trigonal P3m1 space group. There are two inequivalent B sites. In the first B site, B(1) is bonded to three equivalent C(1) and one N(1) atom to form BC3N tetrahedra that share corners with six equivalent B(1)C3N tetrahedra and corners with six equivalent B(2)CN3 tetrahedra. In the second B site, B(2) is bonded to one C(1) and three equivalent N(1) atoms to form BCN3 tetrahedra that share corners with six equivalent B(1)C3N tetrahedra and corners with six equivalent B(2)CN3 tetrahedra. C(1) is bonded to one B(2) and three equivalent B(1) atoms to form CB4 tetrahedra that share corners with six equivalent C(1)B4 tetrahedra and corners with six equivalent N(1)B4 tetrahedra. N(1) is bonded to one B(1) and three equivalent B(2) atoms to form NB4 tetrahedra that share corners with six equivalent C(1)B4 tetrahedra and corners with six equivalent N(1)B4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_B2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.571
_cell_length_b   2.571
_cell_length_c   4.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   25.413
_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  0.000  0.000  0.171  1.0
  B  B1  1  0.333  0.667  0.642  1.0
  C  C2  1  0.333  0.667  0.004  1.0
  N  N3  1  0.000  0.000  0.513  1.0
[/CIF]
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