The structure described by Cu3TaS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. Ta(1) is bonded to four equivalent S(1) atoms to form TaS4 tetrahedra that share edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with eight equivalent Cu(1)S4 tetrahedra and edges with two equivalent Ta(1)S4 tetrahedra. S(1) is bonded to one Ta(1) and three equivalent Cu(1) atoms to form a mixture of corner and edge-sharing STaCu3 tetrahedra. is represented by the CIF card [CIF]
data_TaCu3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.487
_cell_length_c   5.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.158
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  S  S4  1  0.243  0.757  0.757  1.0
  S  S5  1  0.757  0.757  0.243  1.0
  S  S6  1  0.757  0.243  0.757  1.0
  S  S7  1  0.243  0.243  0.243  1.0
[/CIF]
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The structure described by Cu3TaS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. Ta(1) is bonded to four equivalent S(1) atoms to form TaS4 tetrahedra that share edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with eight equivalent Cu(1)S4 tetrahedra and edges with two equivalent Ta(1)S4 tetrahedra. S(1) is bonded to one Ta(1) and three equivalent Cu(1) atoms to form a mixture of corner and edge-sharing STaCu3 tetrahedra. is represented by the CIF card [CIF]
data_TaCu3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.487
_cell_length_b   5.487
_cell_length_c   5.487
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   165.158
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  S  S4  1  0.243  0.757  0.757  1.0
  S  S5  1  0.757  0.757  0.243  1.0
  S  S6  1  0.757  0.243  0.757  1.0
  S  S7  1  0.243  0.243  0.243  1.0
[/CIF]
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