The compound described by B2CN is Enargite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded to one C(1) and three equivalent N(1) atoms to form BCN3 tetrahedra that share corners with six equivalent B(2)C3N tetrahedra and corners with six equivalent B(1)CN3 tetrahedra. In the second B site, B(2) is bonded to three equivalent C(1) and one N(1) atom to form BC3N tetrahedra that share corners with six equivalent B(2)C3N tetrahedra and corners with six equivalent B(1)CN3 tetrahedra. C(1) is bonded to one B(1) and three equivalent B(2) 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(2) and three equivalent B(1) 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 CIF card [CIF]
data_B2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.641
_cell_length_b   4.641
_cell_length_c   4.641
_cell_angle_alpha   32.341
_cell_angle_beta   32.341
_cell_angle_gamma   32.341
_symmetry_Int_Tables_number   1
_cell_volume   25.424
_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  0.223  0.223  0.223  1.0
  B  B1  1  0.732  0.732  0.732  1.0
  C  C2  1  0.345  0.345  0.345  1.0
  N  N3  1  0.848  0.848  0.848  1.0
[/CIF]
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The compound described by B2CN is Enargite-like structured and crystallizes in the trigonal R3m space group. There are two inequivalent B sites. In the first B site, B(1) is bonded to one C(1) and three equivalent N(1) atoms to form BCN3 tetrahedra that share corners with six equivalent B(2)C3N tetrahedra and corners with six equivalent B(1)CN3 tetrahedra. In the second B site, B(2) is bonded to three equivalent C(1) and one N(1) atom to form BC3N tetrahedra that share corners with six equivalent B(2)C3N tetrahedra and corners with six equivalent B(1)CN3 tetrahedra. C(1) is bonded to one B(1) and three equivalent B(2) 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(2) and three equivalent B(1) 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 CIF card [CIF]
data_B2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.641
_cell_length_b   4.641
_cell_length_c   4.641
_cell_angle_alpha   32.341
_cell_angle_beta   32.341
_cell_angle_gamma   32.341
_symmetry_Int_Tables_number   1
_cell_volume   25.424
_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  0.223  0.223  0.223  1.0
  B  B1  1  0.732  0.732  0.732  1.0
  C  C2  1  0.345  0.345  0.345  1.0
  N  N3  1  0.848  0.848  0.848  1.0
[/CIF]
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