The compound described by ZrNbC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded to six equivalent C(1) atoms to form ZrC6 octahedra that share corners with six equivalent Nb(1)C6 octahedra, edges with six equivalent Zr(1)C6 octahedra, and edges with six equivalent Nb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. Nb(1) is bonded to six equivalent C(1) atoms to form NbC6 octahedra that share corners with six equivalent Zr(1)C6 octahedra, edges with six equivalent Zr(1)C6 octahedra, and edges with six equivalent Nb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. C(1) is bonded to three equivalent Zr(1) and three equivalent Nb(1) atoms to form a mixture of edge and corner-sharing CZr3Nb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrNbC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.644
_cell_length_b   5.644
_cell_length_c   5.644
_cell_angle_alpha   33.470
_cell_angle_beta   33.470
_cell_angle_gamma   33.470
_symmetry_Int_Tables_number   1
_cell_volume   48.695
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.247  0.247  0.247  1.0
  C  C3  1  0.753  0.753  0.753  1.0
[/CIF]
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The compound described by ZrNbC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Zr(1) is bonded to six equivalent C(1) atoms to form ZrC6 octahedra that share corners with six equivalent Nb(1)C6 octahedra, edges with six equivalent Zr(1)C6 octahedra, and edges with six equivalent Nb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. Nb(1) is bonded to six equivalent C(1) atoms to form NbC6 octahedra that share corners with six equivalent Zr(1)C6 octahedra, edges with six equivalent Zr(1)C6 octahedra, and edges with six equivalent Nb(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. C(1) is bonded to three equivalent Zr(1) and three equivalent Nb(1) atoms to form a mixture of edge and corner-sharing CZr3Nb3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrNbC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.644
_cell_length_b   5.644
_cell_length_c   5.644
_cell_angle_alpha   33.470
_cell_angle_beta   33.470
_cell_angle_gamma   33.470
_symmetry_Int_Tables_number   1
_cell_volume   48.695
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.247  0.247  0.247  1.0
  C  C3  1  0.753  0.753  0.753  1.0
[/CIF]
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