The material structure described by NbCr3(CuS4)2 crystallizes in the orthorhombic Pmn2_1 space group. Nb(1) is bonded to one S(5), one S(8), two equivalent S(2), and two equivalent S(6) atoms to form NbS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share corners with two equivalent Nb(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Cr site, Cr(2) is bonded to one S(1), one S(4), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Nb(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the third Cr site, Cr(3) is bonded to one S(6), one S(7), two equivalent S(1), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(3), two equivalent S(5), and two equivalent S(7) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(6), and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Cr(2), two equivalent Cr(3), and one Cu(1) atom to form distorted SCr3Cu tetrahedra that share corners with two equivalent S(1)Cr3Cu tetrahedra,  a cornercorner with one S(4)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(6)Nb2CrCu2 trigonal bipyramids, edges with two equivalent S(3)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(7)Cr3Cu2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Nb(1), one Cr(1), and one Cu(2) atom to form distorted SNb2CrCu tetrahedra that share corners with two equivalent S(2)Nb2CrCu tetrahedra,  a cornercorner with one S(3)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(7)Cr3Cu2 trigonal bipyramids, corners with four equivalent S(6)Nb2CrCu2 trigonal bipyramids,  an edgeedge with one S(6)Nb2CrCu2 trigonal bipyramid, and edges with two equivalent S(4)Cr3Cu2 trigonal bipyramids. In the third S site, S(3) is bonded to one Cr(1), two equivalent Cr(2), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share  a cornercorner with one S(2)Nb2CrCu tetrahedra, corners with four equivalent S(7)Cr3Cu2 trigonal bipyramids, edges with two equivalent S(1)Cr3Cu tetrahedra,  an edgeedge with one S(7)Cr3Cu2 trigonal bipyramid, edges with two equivalent S(3)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(4)Cr3Cu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted SCr3Cu2 trigonal bipyramids that share  a cornercorner with one S(1)Cr3Cu tetrahedra, corners with two equivalent S(7)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(6)Nb2CrCu2 trigonal bipyramids, edges with two equivalent S(2)Nb2CrCu tetrahedra,  an edgeedge with one S(7)Cr3Cu2 trigonal bipyramid,  an edgeedge with one S(6)Nb2CrCu2 trigonal bipyramid, edges with two equivalent S(3)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(4)Cr3Cu2 trigonal bipyramids. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Nb(1), two equivalent Cr(3), and two equivalent Cu(1) atoms. In the sixth S site, S(6) is bonded to two equivalent Nb(1), one Cr(3), and two equivalent Cu(2) atoms to form distorted SNb2CrCu2 trigonal bipyramids that share corners with two equivalent S(1)Cr3Cu tetrahedra, corners with four equivalent S(2)Nb2CrCu tetrahedra,  a cornercorner with one S(7)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(4)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(2)Nb2CrCu tetrahedra,  an edgeedge with one S(4)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(6)Nb2CrCu2 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with two equivalent S(2)Nb2CrCu tetrahedra,  a cornercorner with one S(6)Nb2CrCu2 trigonal bipyramid, corners with two equivalent S(4)Cr3Cu2 trigonal bipyramids, corners with four equivalent S(3)Cr3Cu2 trigonal bipyramids, edges with two equivalent S(1)Cr3Cu tetrahedra,  an edgeedge with one S(3)Cr3Cu2 trigonal bipyramid,  an edgeedge with one S(4)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(7)Cr3Cu2 trigonal bipyramids. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Nb(1), two equivalent Cr(2), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.389
_cell_length_b   11.079
_cell_length_c   12.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.148
_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
  Nb  Nb0  1  0.000  0.836  0.572  1.0
  Nb  Nb1  1  0.500  0.164  0.072  1.0
  Cr  Cr2  1  0.500  0.685  0.885  1.0
  Cr  Cr3  1  0.000  0.803  0.120  1.0
  Cr  Cr4  1  0.000  0.315  0.385  1.0
  Cr  Cr5  1  0.500  0.197  0.620  1.0
  Cr  Cr6  1  0.500  0.672  0.416  1.0
  Cr  Cr7  1  0.000  0.328  0.916  1.0
  Cu  Cu8  1  0.500  0.467  0.683  1.0
  Cu  Cu9  1  0.000  0.038  0.338  1.0
  Cu  Cu10  1  0.000  0.533  0.183  1.0
  Cu  Cu11  1  0.500  0.962  0.838  1.0
  S  S12  1  0.000  0.700  0.290  1.0
  S  S13  1  0.500  0.805  0.716  1.0
  S  S14  1  0.500  0.300  0.790  1.0
  S  S15  1  0.000  0.195  0.216  1.0
  S  S16  1  0.500  0.654  0.073  1.0
  S  S17  1  0.000  0.833  0.933  1.0
  S  S18  1  0.000  0.346  0.573  1.0
  S  S19  1  0.500  0.167  0.433  1.0
  S  S20  1  0.000  0.623  0.546  1.0
  S  S21  1  0.500  0.885  0.432  1.0
  S  S22  1  0.500  0.377  0.046  1.0
  S  S23  1  0.000  0.115  0.932  1.0
  S  S24  1  0.000  0.543  0.839  1.0
  S  S25  1  0.500  0.945  0.155  1.0
  S  S26  1  0.500  0.457  0.339  1.0
  S  S27  1  0.000  0.055  0.655  1.0
[/CIF]
.
The material structure described by NbCr3(CuS4)2 crystallizes in the orthorhombic Pmn2_1 space group. Nb(1) is bonded to one S(5), one S(8), two equivalent S(2), and two equivalent S(6) atoms to form NbS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share corners with two equivalent Nb(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-58°. In the second Cr site, Cr(2) is bonded to one S(1), one S(4), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share corners with two equivalent Nb(1)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the third Cr site, Cr(3) is bonded to one S(6), one S(7), two equivalent S(1), and two equivalent S(5) atoms to form CrS6 octahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(3), two equivalent S(5), and two equivalent S(7) atoms. In the second Cu site, Cu(2) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(4), two equivalent S(6), and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Cr(2), two equivalent Cr(3), and one Cu(1) atom to form distorted SCr3Cu tetrahedra that share corners with two equivalent S(1)Cr3Cu tetrahedra,  a cornercorner with one S(4)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(6)Nb2CrCu2 trigonal bipyramids, edges with two equivalent S(3)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(7)Cr3Cu2 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent Nb(1), one Cr(1), and one Cu(2) atom to form distorted SNb2CrCu tetrahedra that share corners with two equivalent S(2)Nb2CrCu tetrahedra,  a cornercorner with one S(3)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(7)Cr3Cu2 trigonal bipyramids, corners with four equivalent S(6)Nb2CrCu2 trigonal bipyramids,  an edgeedge with one S(6)Nb2CrCu2 trigonal bipyramid, and edges with two equivalent S(4)Cr3Cu2 trigonal bipyramids. In the third S site, S(3) is bonded to one Cr(1), two equivalent Cr(2), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share  a cornercorner with one S(2)Nb2CrCu tetrahedra, corners with four equivalent S(7)Cr3Cu2 trigonal bipyramids, edges with two equivalent S(1)Cr3Cu tetrahedra,  an edgeedge with one S(7)Cr3Cu2 trigonal bipyramid, edges with two equivalent S(3)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(4)Cr3Cu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted SCr3Cu2 trigonal bipyramids that share  a cornercorner with one S(1)Cr3Cu tetrahedra, corners with two equivalent S(7)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(6)Nb2CrCu2 trigonal bipyramids, edges with two equivalent S(2)Nb2CrCu tetrahedra,  an edgeedge with one S(7)Cr3Cu2 trigonal bipyramid,  an edgeedge with one S(6)Nb2CrCu2 trigonal bipyramid, edges with two equivalent S(3)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(4)Cr3Cu2 trigonal bipyramids. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Nb(1), two equivalent Cr(3), and two equivalent Cu(1) atoms. In the sixth S site, S(6) is bonded to two equivalent Nb(1), one Cr(3), and two equivalent Cu(2) atoms to form distorted SNb2CrCu2 trigonal bipyramids that share corners with two equivalent S(1)Cr3Cu tetrahedra, corners with four equivalent S(2)Nb2CrCu tetrahedra,  a cornercorner with one S(7)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(4)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(2)Nb2CrCu tetrahedra,  an edgeedge with one S(4)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(6)Nb2CrCu2 trigonal bipyramids. In the seventh S site, S(7) is bonded to one Cr(3), two equivalent Cr(1), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with two equivalent S(2)Nb2CrCu tetrahedra,  a cornercorner with one S(6)Nb2CrCu2 trigonal bipyramid, corners with two equivalent S(4)Cr3Cu2 trigonal bipyramids, corners with four equivalent S(3)Cr3Cu2 trigonal bipyramids, edges with two equivalent S(1)Cr3Cu tetrahedra,  an edgeedge with one S(3)Cr3Cu2 trigonal bipyramid,  an edgeedge with one S(4)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(7)Cr3Cu2 trigonal bipyramids. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Nb(1), two equivalent Cr(2), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.389
_cell_length_b   11.079
_cell_length_c   12.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.148
_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
  Nb  Nb0  1  0.000  0.836  0.572  1.0
  Nb  Nb1  1  0.500  0.164  0.072  1.0
  Cr  Cr2  1  0.500  0.685  0.885  1.0
  Cr  Cr3  1  0.000  0.803  0.120  1.0
  Cr  Cr4  1  0.000  0.315  0.385  1.0
  Cr  Cr5  1  0.500  0.197  0.620  1.0
  Cr  Cr6  1  0.500  0.672  0.416  1.0
  Cr  Cr7  1  0.000  0.328  0.916  1.0
  Cu  Cu8  1  0.500  0.467  0.683  1.0
  Cu  Cu9  1  0.000  0.038  0.338  1.0
  Cu  Cu10  1  0.000  0.533  0.183  1.0
  Cu  Cu11  1  0.500  0.962  0.838  1.0
  S  S12  1  0.000  0.700  0.290  1.0
  S  S13  1  0.500  0.805  0.716  1.0
  S  S14  1  0.500  0.300  0.790  1.0
  S  S15  1  0.000  0.195  0.216  1.0
  S  S16  1  0.500  0.654  0.073  1.0
  S  S17  1  0.000  0.833  0.933  1.0
  S  S18  1  0.000  0.346  0.573  1.0
  S  S19  1  0.500  0.167  0.433  1.0
  S  S20  1  0.000  0.623  0.546  1.0
  S  S21  1  0.500  0.885  0.432  1.0
  S  S22  1  0.500  0.377  0.046  1.0
  S  S23  1  0.000  0.115  0.932  1.0
  S  S24  1  0.000  0.543  0.839  1.0
  S  S25  1  0.500  0.945  0.155  1.0
  S  S26  1  0.500  0.457  0.339  1.0
  S  S27  1  0.000  0.055  0.655  1.0
[/CIF]
.