The crystal structure described by Ta4WC5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent C(3) atoms to form TaC6 octahedra that share corners with three equivalent Ta(2)C6 octahedra, corners with three equivalent W(1)C6 octahedra, edges with three equivalent Ta(2)C6 octahedra, edges with three equivalent W(1)C6 octahedra, and edges with six equivalent Ta(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ta site, Ta(2) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form a mixture of edge and corner-sharing TaC6 octahedra. The corner-sharing octahedra are not tilted. W(1) is bonded to six equivalent C(3) atoms to form WC6 octahedra that share corners with six equivalent Ta(1)C6 octahedra, edges with six equivalent Ta(1)C6 octahedra, and edges with six equivalent W(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Ta(1) and three equivalent Ta(2) atoms to form CTa6 octahedra that share corners with three equivalent C(3)Ta3W3 octahedra, corners with three equivalent C(2)Ta6 octahedra, edges with three equivalent C(3)Ta3W3 octahedra, edges with three equivalent C(2)Ta6 octahedra, and edges with six equivalent C(1)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to six equivalent Ta(2) atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to three equivalent Ta(1) and three equivalent W(1) atoms to form CTa3W3 octahedra that share corners with three equivalent C(3)Ta3W3 octahedra, corners with three equivalent C(1)Ta6 octahedra, edges with three equivalent C(1)Ta6 octahedra, and edges with nine equivalent C(3)Ta3W3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta4WC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.040
_cell_length_b   13.040
_cell_length_c   13.040
_cell_angle_alpha   13.884
_cell_angle_beta   13.884
_cell_angle_gamma   13.884
_symmetry_Int_Tables_number   1
_cell_volume   111.099
_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
  Ta  Ta0  1  0.100  0.100  0.100  1.0
  Ta  Ta1  1  0.700  0.700  0.700  1.0
  Ta  Ta2  1  0.300  0.300  0.300  1.0
  Ta  Ta3  1  0.900  0.900  0.900  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  C  C5  1  0.599  0.599  0.599  1.0
  C  C6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.401  0.401  0.401  1.0
  C  C8  1  0.199  0.199  0.199  1.0
  C  C9  1  0.801  0.801  0.801  1.0
[/CIF]
.
The crystal structure described by Ta4WC5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to three equivalent C(1) and three equivalent C(3) atoms to form TaC6 octahedra that share corners with three equivalent Ta(2)C6 octahedra, corners with three equivalent W(1)C6 octahedra, edges with three equivalent Ta(2)C6 octahedra, edges with three equivalent W(1)C6 octahedra, and edges with six equivalent Ta(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ta site, Ta(2) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form a mixture of edge and corner-sharing TaC6 octahedra. The corner-sharing octahedra are not tilted. W(1) is bonded to six equivalent C(3) atoms to form WC6 octahedra that share corners with six equivalent Ta(1)C6 octahedra, edges with six equivalent Ta(1)C6 octahedra, and edges with six equivalent W(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Ta(1) and three equivalent Ta(2) atoms to form CTa6 octahedra that share corners with three equivalent C(3)Ta3W3 octahedra, corners with three equivalent C(2)Ta6 octahedra, edges with three equivalent C(3)Ta3W3 octahedra, edges with three equivalent C(2)Ta6 octahedra, and edges with six equivalent C(1)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second C site, C(2) is bonded to six equivalent Ta(2) atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to three equivalent Ta(1) and three equivalent W(1) atoms to form CTa3W3 octahedra that share corners with three equivalent C(3)Ta3W3 octahedra, corners with three equivalent C(1)Ta6 octahedra, edges with three equivalent C(1)Ta6 octahedra, and edges with nine equivalent C(3)Ta3W3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta4WC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.040
_cell_length_b   13.040
_cell_length_c   13.040
_cell_angle_alpha   13.884
_cell_angle_beta   13.884
_cell_angle_gamma   13.884
_symmetry_Int_Tables_number   1
_cell_volume   111.099
_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
  Ta  Ta0  1  0.100  0.100  0.100  1.0
  Ta  Ta1  1  0.700  0.700  0.700  1.0
  Ta  Ta2  1  0.300  0.300  0.300  1.0
  Ta  Ta3  1  0.900  0.900  0.900  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  C  C5  1  0.599  0.599  0.599  1.0
  C  C6  1  0.000  0.000  0.000  1.0
  C  C7  1  0.401  0.401  0.401  1.0
  C  C8  1  0.199  0.199  0.199  1.0
  C  C9  1  0.801  0.801  0.801  1.0
[/CIF]
.