The compound described by TaCr3(CuS4)2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form TaS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, corners with three equivalent Cu(2)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with four equivalent Cr(3)S6 octahedra, corners with two 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 Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Cr site, Cr(2) is bonded to two equivalent S(2), two equivalent S(4), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with four equivalent Ta(1)S6 octahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Cr site, Cr(3) is bonded to one S(3), one S(6), two equivalent S(1), and two equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Ta(1)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(3), one S(5), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra,  an edgeedge with one Ta(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Cu site, Cu(2) is bonded to one S(4), one S(6), and two equivalent S(2) atoms to form CuS4 tetrahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with three equivalent Ta(1)S6 octahedra,  an edgeedge with one Cr(3)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-66°. There are six 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(3), 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), one Cr(2), one Cr(3), and one Cu(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(3), two equivalent Cr(1), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(2), and one Cu(2) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(1), and one Cu(1) atom. In the sixth S site, S(6) is bonded to one Cr(3), two equivalent Cr(2), and one Cu(2) atom to form distorted corner-sharing SCr3Cu tetrahedra. is represented by the CIF file [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   5.706
_cell_length_c   12.017
_cell_angle_alpha   89.382
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.256
_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  0.750  0.479  0.749  1.0
  Ta  Ta1  1  0.250  0.521  0.251  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.500  0.500  0.000  1.0
  Cr  Cr6  1  0.250  0.981  0.756  1.0
  Cr  Cr7  1  0.750  0.019  0.244  1.0
  Cu  Cu8  1  0.750  0.108  0.907  1.0
  Cu  Cu9  1  0.250  0.892  0.093  1.0
  Cu  Cu10  1  0.250  0.590  0.593  1.0
  Cu  Cu11  1  0.750  0.410  0.407  1.0
  S  S12  1  0.012  0.261  0.831  1.0
  S  S13  1  0.988  0.739  0.169  1.0
  S  S14  1  0.993  0.765  0.669  1.0
  S  S15  1  0.007  0.235  0.331  1.0
  S  S16  1  0.493  0.235  0.331  1.0
  S  S17  1  0.507  0.765  0.669  1.0
  S  S18  1  0.512  0.739  0.169  1.0
  S  S19  1  0.488  0.261  0.831  1.0
  S  S20  1  0.250  0.736  0.918  1.0
  S  S21  1  0.750  0.264  0.082  1.0
  S  S22  1  0.750  0.242  0.583  1.0
  S  S23  1  0.250  0.758  0.417  1.0
  S  S24  1  0.750  0.717  0.918  1.0
  S  S25  1  0.250  0.283  0.082  1.0
  S  S26  1  0.250  0.201  0.587  1.0
  S  S27  1  0.750  0.799  0.413  1.0
[/CIF]
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The compound described by TaCr3(CuS4)2 is Spinel-derived structured and crystallizes in the monoclinic P2_1/m space group. Ta(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(2) atoms to form TaS6 octahedra that share corners with four equivalent Cr(2)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, corners with three equivalent Cu(2)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with four equivalent Cr(3)S6 octahedra, corners with two 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 Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the second Cr site, Cr(2) is bonded to two equivalent S(2), two equivalent S(4), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with four equivalent Ta(1)S6 octahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-49°. In the third Cr site, Cr(3) is bonded to one S(3), one S(6), two equivalent S(1), and two equivalent S(2) atoms to form CrS6 octahedra that share corners with four equivalent Ta(1)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(3), one S(5), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share  a cornercorner with one Ta(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra,  an edgeedge with one Ta(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Cu site, Cu(2) is bonded to one S(4), one S(6), and two equivalent S(2) atoms to form CuS4 tetrahedra that share  a cornercorner with one Cr(3)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with three equivalent Ta(1)S6 octahedra,  an edgeedge with one Cr(3)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-66°. There are six 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(3), 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), one Cr(2), one Cr(3), and one Cu(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(3), two equivalent Cr(1), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(2), and one Cu(2) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one Ta(1), two equivalent Cr(1), and one Cu(1) atom. In the sixth S site, S(6) is bonded to one Cr(3), two equivalent Cr(2), and one Cu(2) atom to form distorted corner-sharing SCr3Cu tetrahedra. is represented by the CIF file [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   5.706
_cell_length_c   12.017
_cell_angle_alpha   89.382
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.256
_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  0.750  0.479  0.749  1.0
  Ta  Ta1  1  0.250  0.521  0.251  1.0
  Cr  Cr2  1  0.000  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.000  0.500  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.500  0.500  0.000  1.0
  Cr  Cr6  1  0.250  0.981  0.756  1.0
  Cr  Cr7  1  0.750  0.019  0.244  1.0
  Cu  Cu8  1  0.750  0.108  0.907  1.0
  Cu  Cu9  1  0.250  0.892  0.093  1.0
  Cu  Cu10  1  0.250  0.590  0.593  1.0
  Cu  Cu11  1  0.750  0.410  0.407  1.0
  S  S12  1  0.012  0.261  0.831  1.0
  S  S13  1  0.988  0.739  0.169  1.0
  S  S14  1  0.993  0.765  0.669  1.0
  S  S15  1  0.007  0.235  0.331  1.0
  S  S16  1  0.493  0.235  0.331  1.0
  S  S17  1  0.507  0.765  0.669  1.0
  S  S18  1  0.512  0.739  0.169  1.0
  S  S19  1  0.488  0.261  0.831  1.0
  S  S20  1  0.250  0.736  0.918  1.0
  S  S21  1  0.750  0.264  0.082  1.0
  S  S22  1  0.750  0.242  0.583  1.0
  S  S23  1  0.250  0.758  0.417  1.0
  S  S24  1  0.750  0.717  0.918  1.0
  S  S25  1  0.250  0.283  0.082  1.0
  S  S26  1  0.250  0.201  0.587  1.0
  S  S27  1  0.750  0.799  0.413  1.0
[/CIF]
.