The compound described by HfNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form HfC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Hf(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. C(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form CHf3Nb3 octahedra that share corners with six equivalent N(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form NHf3Nb3 octahedra that share corners with six equivalent C(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF file [CIF]
data_HfNbCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.576
_cell_length_c   5.576
_cell_angle_alpha   33.372
_cell_angle_beta   33.372
_cell_angle_gamma   33.372
_symmetry_Int_Tables_number   1
_cell_volume   46.717
_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
  Hf  Hf0  1  0.002  0.002  0.002  1.0
  Nb  Nb1  1  0.497  0.497  0.497  1.0
  C  C2  1  0.751  0.751  0.751  1.0
  N  N3  1  0.251  0.251  0.251  1.0
[/CIF]
.
The compound described by HfNbCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form HfC3N3 octahedra that share corners with six equivalent Nb(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. Nb(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form NbC3N3 octahedra that share corners with six equivalent Hf(1)C3N3 octahedra, edges with six equivalent Hf(1)C3N3 octahedra, and edges with six equivalent Nb(1)C3N3 octahedra. The corner-sharing octahedral tilt angles are 1°. C(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form CHf3Nb3 octahedra that share corners with six equivalent N(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. N(1) is bonded to three equivalent Hf(1) and three equivalent Nb(1) atoms to form NHf3Nb3 octahedra that share corners with six equivalent C(1)Hf3Nb3 octahedra, edges with six equivalent C(1)Hf3Nb3 octahedra, and edges with six equivalent N(1)Hf3Nb3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. is represented by the CIF file [CIF]
data_HfNbCN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.576
_cell_length_c   5.576
_cell_angle_alpha   33.372
_cell_angle_beta   33.372
_cell_angle_gamma   33.372
_symmetry_Int_Tables_number   1
_cell_volume   46.717
_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
  Hf  Hf0  1  0.002  0.002  0.002  1.0
  Nb  Nb1  1  0.497  0.497  0.497  1.0
  C  C2  1  0.751  0.751  0.751  1.0
  N  N3  1  0.251  0.251  0.251  1.0
[/CIF]
.