The compound described by TaCr3(CuS4)2 is Spinel-derived structured and crystallizes in the monoclinic C2 space group. Ta(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form TaS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ta(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form CuS4 tetrahedra that share corners with three equivalent Ta(1)S6 octahedra, corners with three equivalent Cr(2)S6 octahedra, and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), one Cr(2), and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(1), and one Cu(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), one Cr(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(1), and one Cu(1) atom to form distorted corner-sharing SCr3Cu trigonal pyramids. is represented by the CIF card [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.977
_cell_length_b   6.977
_cell_length_c   6.980
_cell_angle_alpha   61.198
_cell_angle_beta   61.198
_cell_angle_gamma   61.449
_symmetry_Int_Tables_number   1
_cell_volume   247.187
_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  0.358  0.642  0.000  1.0
  Cr  Cr1  1  0.884  0.621  0.001  1.0
  Cr  Cr2  1  0.379  0.116  0.999  1.0
  Cr  Cr3  1  0.380  0.620  0.500  1.0
  Cu  Cu4  1  0.740  0.007  0.372  1.0
  Cu  Cu5  1  0.993  0.260  0.628  1.0
  S  S6  1  0.131  0.863  0.746  1.0
  S  S7  1  0.137  0.370  0.232  1.0
  S  S8  1  0.601  0.377  0.759  1.0
  S  S9  1  0.137  0.382  0.761  1.0
  S  S10  1  0.623  0.399  0.241  1.0
  S  S11  1  0.618  0.863  0.239  1.0
  S  S12  1  0.137  0.869  0.254  1.0
  S  S13  1  0.630  0.863  0.768  1.0
[/CIF]
.
The compound described by TaCr3(CuS4)2 is Spinel-derived structured and crystallizes in the monoclinic C2 space group. Ta(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form TaS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ta(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ta(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cu(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form CuS4 tetrahedra that share corners with three equivalent Ta(1)S6 octahedra, corners with three equivalent Cr(2)S6 octahedra, and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), one Cr(2), and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(1), and one Cu(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ta(1), one Cr(1), one Cr(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(1), and one Cu(1) atom to form distorted corner-sharing SCr3Cu trigonal pyramids. is represented by the CIF card [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.977
_cell_length_b   6.977
_cell_length_c   6.980
_cell_angle_alpha   61.198
_cell_angle_beta   61.198
_cell_angle_gamma   61.449
_symmetry_Int_Tables_number   1
_cell_volume   247.187
_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  0.358  0.642  0.000  1.0
  Cr  Cr1  1  0.884  0.621  0.001  1.0
  Cr  Cr2  1  0.379  0.116  0.999  1.0
  Cr  Cr3  1  0.380  0.620  0.500  1.0
  Cu  Cu4  1  0.740  0.007  0.372  1.0
  Cu  Cu5  1  0.993  0.260  0.628  1.0
  S  S6  1  0.131  0.863  0.746  1.0
  S  S7  1  0.137  0.370  0.232  1.0
  S  S8  1  0.601  0.377  0.759  1.0
  S  S9  1  0.137  0.382  0.761  1.0
  S  S10  1  0.623  0.399  0.241  1.0
  S  S11  1  0.618  0.863  0.239  1.0
  S  S12  1  0.137  0.869  0.254  1.0
  S  S13  1  0.630  0.863  0.768  1.0
[/CIF]
.