The material structure described by TiVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent C(1) atoms to form TiC6 octahedra that share corners with six equivalent V(1)C6 octahedra, edges with six equivalent Ti(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. V(1) is bonded to six equivalent C(1) atoms to form VC6 octahedra that share corners with six equivalent Ti(1)C6 octahedra, edges with six equivalent Ti(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. C(1) is bonded to three equivalent Ti(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing CTi3V3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_TiVC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   5.208
_cell_angle_alpha   33.452
_cell_angle_beta   33.452
_cell_angle_gamma   33.452
_symmetry_Int_Tables_number   1
_cell_volume   38.216
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.253  0.253  0.253  1.0
  C  C3  1  0.747  0.747  0.747  1.0
[/CIF]
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The material structure described by TiVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ti(1) is bonded to six equivalent C(1) atoms to form TiC6 octahedra that share corners with six equivalent V(1)C6 octahedra, edges with six equivalent Ti(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. V(1) is bonded to six equivalent C(1) atoms to form VC6 octahedra that share corners with six equivalent Ti(1)C6 octahedra, edges with six equivalent Ti(1)C6 octahedra, and edges with six equivalent V(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. C(1) is bonded to three equivalent Ti(1) and three equivalent V(1) atoms to form a mixture of edge and corner-sharing CTi3V3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_TiVC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   5.208
_cell_length_c   5.208
_cell_angle_alpha   33.452
_cell_angle_beta   33.452
_cell_angle_gamma   33.452
_symmetry_Int_Tables_number   1
_cell_volume   38.216
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.253  0.253  0.253  1.0
  C  C3  1  0.747  0.747  0.747  1.0
[/CIF]
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