The compound described by TaCr3(CuS4)2 crystallizes in the monoclinic Pm space group. Ta(1) is bonded to one S(2), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form TaS6 octahedra that share corners with two equivalent Cu(1)S6 octahedra, corners with four equivalent Cu(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Cu(2)S6 octahedra, corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Cr(3)S6 octahedra, and  a faceface with one Cu(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cr site, Cr(2) is bonded to one S(3), one S(6), two equivalent S(2), and two equivalent S(7) atoms to form CrS6 octahedra that share corners with two equivalent Cu(2)S6 octahedra, corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Ta(1)S6 octahedra, and  a faceface with one Cu(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Cr site, Cr(3) is bonded to one S(1), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent Cu(1)S6 octahedra, corners with four equivalent Cu(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form CuS6 octahedra that share corners with two equivalent Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra,  a faceface with one Ta(1)S6 octahedra, and  a faceface with one Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Cu site, Cu(2) is bonded to one S(3), one S(4), two equivalent S(7), and two equivalent S(8) atoms to form CuS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with four equivalent Ta(1)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra, edges with two equivalent Cu(2)S6 octahedra,  a faceface with one Cr(1)S6 octahedra, and  a faceface with one Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(3), two equivalent Cr(1), 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(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1), one Cr(2), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Cu(2) atom. In the fifth S site, S(5) is bonded to one Cr(1), two equivalent Cr(3), and two equivalent Cu(1) atoms to form distorted edge-sharing SCr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Cr(2), and two equivalent Cu(1) atoms. In the seventh S site, S(7) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Cu(2) atoms to form distorted STaCr2Cu2 trigonal bipyramids that share corners with two equivalent S(8)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(8)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(7)TaCr2Cu2 trigonal bipyramids. In the eighth S site, S(8) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with two equivalent S(7)TaCr2Cu2 trigonal bipyramids,  an edgeedge with one S(7)TaCr2Cu2 trigonal bipyramid, edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(8)Cr3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.440
_cell_length_b   5.911
_cell_length_c   11.476
_cell_angle_alpha   89.735
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.363
_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  0.500  0.528  0.254  1.0
  Cr  Cr1  1  0.000  0.018  0.760  1.0
  Cr  Cr2  1  0.000  0.969  0.246  1.0
  Cr  Cr3  1  0.500  0.487  0.740  1.0
  Cu  Cu4  1  0.500  0.504  0.994  1.0
  Cu  Cu5  1  0.000  0.009  0.506  1.0
  S  S6  1  0.500  0.174  0.872  1.0
  S  S7  1  0.500  0.837  0.117  1.0
  S  S8  1  0.000  0.666  0.387  1.0
  S  S9  1  0.000  0.332  0.627  1.0
  S  S10  1  0.000  0.662  0.861  1.0
  S  S11  1  0.000  0.322  0.134  1.0
  S  S12  1  0.500  0.150  0.361  1.0
  S  S13  1  0.500  0.843  0.640  1.0
[/CIF]
.
The compound described by TaCr3(CuS4)2 crystallizes in the monoclinic Pm space group. Ta(1) is bonded to one S(2), one S(7), two equivalent S(3), and two equivalent S(6) atoms to form TaS6 octahedra that share corners with two equivalent Cu(1)S6 octahedra, corners with four equivalent Cu(2)S6 octahedra, edges with two equivalent Ta(1)S6 octahedra, edges with four equivalent Cr(2)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(4), one S(5), two equivalent S(1), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Cu(2)S6 octahedra, corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Cr(3)S6 octahedra, and  a faceface with one Cu(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cr site, Cr(2) is bonded to one S(3), one S(6), two equivalent S(2), and two equivalent S(7) atoms to form CrS6 octahedra that share corners with two equivalent Cu(2)S6 octahedra, corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, edges with four equivalent Ta(1)S6 octahedra, and  a faceface with one Cu(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Cr site, Cr(3) is bonded to one S(1), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent Cu(1)S6 octahedra, corners with four equivalent Cu(2)S6 octahedra, edges with two equivalent Cr(3)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), two equivalent S(5), and two equivalent S(6) atoms to form CuS6 octahedra that share corners with two equivalent Ta(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cr(2)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra,  a faceface with one Ta(1)S6 octahedra, and  a faceface with one Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Cu site, Cu(2) is bonded to one S(3), one S(4), two equivalent S(7), and two equivalent S(8) atoms to form CuS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, corners with four equivalent Ta(1)S6 octahedra, corners with four equivalent Cr(3)S6 octahedra, edges with two equivalent Cu(2)S6 octahedra,  a faceface with one Cr(1)S6 octahedra, and  a faceface with one Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Cr(3), two equivalent Cr(1), 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(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ta(1), one Cr(2), and one Cu(2) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Cu(2) atom. In the fifth S site, S(5) is bonded to one Cr(1), two equivalent Cr(3), and two equivalent Cu(1) atoms to form distorted edge-sharing SCr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Ta(1), one Cr(2), and two equivalent Cu(1) atoms. In the seventh S site, S(7) is bonded to one Ta(1), two equivalent Cr(2), and two equivalent Cu(2) atoms to form distorted STaCr2Cu2 trigonal bipyramids that share corners with two equivalent S(8)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(8)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(7)TaCr2Cu2 trigonal bipyramids. In the eighth S site, S(8) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with two equivalent S(7)TaCr2Cu2 trigonal bipyramids,  an edgeedge with one S(7)TaCr2Cu2 trigonal bipyramid, edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(8)Cr3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_TaCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.440
_cell_length_b   5.911
_cell_length_c   11.476
_cell_angle_alpha   89.735
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.363
_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  0.500  0.528  0.254  1.0
  Cr  Cr1  1  0.000  0.018  0.760  1.0
  Cr  Cr2  1  0.000  0.969  0.246  1.0
  Cr  Cr3  1  0.500  0.487  0.740  1.0
  Cu  Cu4  1  0.500  0.504  0.994  1.0
  Cu  Cu5  1  0.000  0.009  0.506  1.0
  S  S6  1  0.500  0.174  0.872  1.0
  S  S7  1  0.500  0.837  0.117  1.0
  S  S8  1  0.000  0.666  0.387  1.0
  S  S9  1  0.000  0.332  0.627  1.0
  S  S10  1  0.000  0.662  0.861  1.0
  S  S11  1  0.000  0.322  0.134  1.0
  S  S12  1  0.500  0.150  0.361  1.0
  S  S13  1  0.500  0.843  0.640  1.0
[/CIF]
.