The material structure described by Ta2CN is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. C(1) is bonded to six Ta(1,1,1) atoms to form CTa6 octahedra that share corners with two equivalent N(1)Ta6 octahedra, corners with four equivalent C(1)Ta6 octahedra, edges with four equivalent C(1)Ta6 octahedra, and edges with eight equivalent N(1)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. N(1) is bonded to six Ta(1,1,1) atoms to form NTa6 octahedra that share corners with two equivalent C(1)Ta6 octahedra, corners with four equivalent N(1)Ta6 octahedra, edges with four equivalent N(1)Ta6 octahedra, and edges with eight equivalent C(1)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Ta2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.480
_cell_length_b   5.480
_cell_length_c   5.480
_cell_angle_alpha   132.119
_cell_angle_beta   132.119
_cell_angle_gamma   70.041
_symmetry_Int_Tables_number   1
_cell_volume   88.756
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.760  0.760  0.000  1.0
  Ta  Ta1  1  0.240  0.240  0.000  1.0
  Ta  Ta2  1  0.990  0.490  0.500  1.0
  Ta  Ta3  1  0.510  0.010  0.500  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.750  0.250  0.500  1.0
  N  N6  1  0.500  0.500  0.000  1.0
  N  N7  1  0.250  0.750  0.500  1.0
[/CIF]
.
The material structure described by Ta2CN is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent N(1) atoms to form a mixture of edge and corner-sharing TaC3N3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. C(1) is bonded to six Ta(1,1,1) atoms to form CTa6 octahedra that share corners with two equivalent N(1)Ta6 octahedra, corners with four equivalent C(1)Ta6 octahedra, edges with four equivalent C(1)Ta6 octahedra, and edges with eight equivalent N(1)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. N(1) is bonded to six Ta(1,1,1) atoms to form NTa6 octahedra that share corners with two equivalent C(1)Ta6 octahedra, corners with four equivalent N(1)Ta6 octahedra, edges with four equivalent N(1)Ta6 octahedra, and edges with eight equivalent C(1)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Ta2CN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.480
_cell_length_b   5.480
_cell_length_c   5.480
_cell_angle_alpha   132.119
_cell_angle_beta   132.119
_cell_angle_gamma   70.041
_symmetry_Int_Tables_number   1
_cell_volume   88.756
_cell_formula_units_Z   2
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
  Ta  Ta0  1  0.760  0.760  0.000  1.0
  Ta  Ta1  1  0.240  0.240  0.000  1.0
  Ta  Ta2  1  0.990  0.490  0.500  1.0
  Ta  Ta3  1  0.510  0.010  0.500  1.0
  C  C4  1  0.000  0.000  0.000  1.0
  C  C5  1  0.750  0.250  0.500  1.0
  N  N6  1  0.500  0.500  0.000  1.0
  N  N7  1  0.250  0.750  0.500  1.0
[/CIF]
.