The crystal structure described by NbCr3(CuS4)2 crystallizes in the orthorhombic Pmn2_1 space group. Nb(1) is bonded to one S(2), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form NbS6 octahedra that share corners with two equivalent Cr(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) 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 Cr(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Cr site, Cr(2) 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 Nb(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third Cr site, Cr(3) is bonded to one S(5), one S(8), two equivalent S(2), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent Nb(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(3), and two equivalent S(5) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Cr(1), two equivalent Cr(2), and one Cu(1) atom to form distorted SCr3Cu tetrahedra that share corners with two equivalent S(1)Cr3Cu tetrahedra, corners with two equivalent S(8)Cr3Cu2 trigonal bipyramids, corners with four equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(3)NbCr2Cu2 trigonal bipyramids. In the second S site, S(2) is bonded to one Nb(1), two equivalent Cr(3), and one Cu(2) atom to form SNbCr2Cu trigonal pyramids that share  a cornercorner with one S(3)NbCr2Cu2 trigonal bipyramid, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(2)NbCr2Cu trigonal pyramids, and edges with two equivalent S(8)Cr3Cu2 trigonal bipyramids. In the third S site, S(3) is bonded to one Nb(1), two equivalent Cr(1), and two equivalent Cu(1) atoms to form distorted SNbCr2Cu2 trigonal bipyramids that share corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(8)Cr3Cu2 trigonal bipyramids,  a cornercorner with one S(2)NbCr2Cu trigonal pyramid, edges with two equivalent S(1)Cr3Cu tetrahedra,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid,  an edgeedge with one S(8)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(3)NbCr2Cu2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Cr(1) atom. In the fifth S site, S(5) is bonded to one Cr(3), two equivalent Cr(2), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with four equivalent S(1)Cr3Cu tetrahedra,  a cornercorner with one S(8)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(3)NbCr2Cu2 trigonal bipyramids, corners with two equivalent S(2)NbCr2Cu trigonal pyramids,  an edgeedge with one S(1)Cr3Cu tetrahedra,  an edgeedge with one S(3)NbCr2Cu2 trigonal bipyramid, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Cr(2) and two equivalent Cr(3) atoms. In the seventh S site, S(7) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one Cr(2) atom. 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(1)Cr3Cu tetrahedra,  a cornercorner with one S(5)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(3)NbCr2Cu2 trigonal bipyramids,  an edgeedge with one S(3)NbCr2Cu2 trigonal bipyramid, edges with two equivalent S(8)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(2)NbCr2Cu trigonal pyramids. is represented by the CIF file [CIF]
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.450
_cell_length_b   11.074
_cell_length_c   12.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.501
_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  0.500  0.708  0.884  1.0
  Nb  Nb1  1  0.000  0.292  0.384  1.0
  Cr  Cr2  1  0.000  0.797  0.128  1.0
  Cr  Cr3  1  0.500  0.203  0.628  1.0
  Cr  Cr4  1  0.500  0.659  0.414  1.0
  Cr  Cr5  1  0.000  0.847  0.588  1.0
  Cr  Cr6  1  0.000  0.341  0.914  1.0
  Cr  Cr7  1  0.500  0.153  0.088  1.0
  Cu  Cu8  1  0.500  0.481  0.646  1.0
  Cu  Cu9  1  0.000  0.992  0.291  1.0
  Cu  Cu10  1  0.000  0.519  0.146  1.0
  Cu  Cu11  1  0.500  0.008  0.791  1.0
  S  S12  1  0.000  0.681  0.288  1.0
  S  S13  1  0.500  0.811  0.716  1.0
  S  S14  1  0.500  0.319  0.788  1.0
  S  S15  1  0.000  0.189  0.216  1.0
  S  S16  1  0.500  0.653  0.075  1.0
  S  S17  1  0.000  0.855  0.946  1.0
  S  S18  1  0.000  0.347  0.575  1.0
  S  S19  1  0.500  0.145  0.446  1.0
  S  S20  1  0.000  0.635  0.550  1.0
  S  S21  1  0.500  0.865  0.460  1.0
  S  S22  1  0.500  0.365  0.050  1.0
  S  S23  1  0.000  0.135  0.960  1.0
  S  S24  1  0.000  0.556  0.847  1.0
  S  S25  1  0.500  0.943  0.168  1.0
  S  S26  1  0.500  0.444  0.347  1.0
  S  S27  1  0.000  0.057  0.668  1.0
[/CIF]
.
The crystal structure described by NbCr3(CuS4)2 crystallizes in the orthorhombic Pmn2_1 space group. Nb(1) is bonded to one S(2), one S(3), two equivalent S(4), and two equivalent S(7) atoms to form NbS6 octahedra that share corners with two equivalent Cr(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent Cr sites. In the first Cr site, Cr(1) 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 Cr(2)S6 octahedra, corners with two equivalent Cr(3)S6 octahedra, edges with two equivalent Nb(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the second Cr site, Cr(2) 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 Nb(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third Cr site, Cr(3) is bonded to one S(5), one S(8), two equivalent S(2), and two equivalent S(6) atoms to form CrS6 octahedra that share corners with two equivalent Nb(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with two equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one S(1), two equivalent S(3), and two equivalent S(5) atoms. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Cr(1), two equivalent Cr(2), and one Cu(1) atom to form distorted SCr3Cu tetrahedra that share corners with two equivalent S(1)Cr3Cu tetrahedra, corners with two equivalent S(8)Cr3Cu2 trigonal bipyramids, corners with four equivalent S(5)Cr3Cu2 trigonal bipyramids,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(3)NbCr2Cu2 trigonal bipyramids. In the second S site, S(2) is bonded to one Nb(1), two equivalent Cr(3), and one Cu(2) atom to form SNbCr2Cu trigonal pyramids that share  a cornercorner with one S(3)NbCr2Cu2 trigonal bipyramid, corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(2)NbCr2Cu trigonal pyramids, and edges with two equivalent S(8)Cr3Cu2 trigonal bipyramids. In the third S site, S(3) is bonded to one Nb(1), two equivalent Cr(1), and two equivalent Cu(1) atoms to form distorted SNbCr2Cu2 trigonal bipyramids that share corners with two equivalent S(5)Cr3Cu2 trigonal bipyramids, corners with two equivalent S(8)Cr3Cu2 trigonal bipyramids,  a cornercorner with one S(2)NbCr2Cu trigonal pyramid, edges with two equivalent S(1)Cr3Cu tetrahedra,  an edgeedge with one S(5)Cr3Cu2 trigonal bipyramid,  an edgeedge with one S(8)Cr3Cu2 trigonal bipyramid, and edges with two equivalent S(3)NbCr2Cu2 trigonal bipyramids. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Cr(1) atom. In the fifth S site, S(5) is bonded to one Cr(3), two equivalent Cr(2), and two equivalent Cu(1) atoms to form distorted SCr3Cu2 trigonal bipyramids that share corners with four equivalent S(1)Cr3Cu tetrahedra,  a cornercorner with one S(8)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(3)NbCr2Cu2 trigonal bipyramids, corners with two equivalent S(2)NbCr2Cu trigonal pyramids,  an edgeedge with one S(1)Cr3Cu tetrahedra,  an edgeedge with one S(3)NbCr2Cu2 trigonal bipyramid, and edges with two equivalent S(5)Cr3Cu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Cr(2) and two equivalent Cr(3) atoms. In the seventh S site, S(7) is bonded in a distorted trigonal planar geometry to two equivalent Nb(1) and one Cr(2) atom. 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(1)Cr3Cu tetrahedra,  a cornercorner with one S(5)Cr3Cu2 trigonal bipyramid, corners with two equivalent S(3)NbCr2Cu2 trigonal bipyramids,  an edgeedge with one S(3)NbCr2Cu2 trigonal bipyramid, edges with two equivalent S(8)Cr3Cu2 trigonal bipyramids, and edges with two equivalent S(2)NbCr2Cu trigonal pyramids. is represented by the CIF file [CIF]
data_NbCr3(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.450
_cell_length_b   11.074
_cell_length_c   12.577
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   480.501
_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  0.500  0.708  0.884  1.0
  Nb  Nb1  1  0.000  0.292  0.384  1.0
  Cr  Cr2  1  0.000  0.797  0.128  1.0
  Cr  Cr3  1  0.500  0.203  0.628  1.0
  Cr  Cr4  1  0.500  0.659  0.414  1.0
  Cr  Cr5  1  0.000  0.847  0.588  1.0
  Cr  Cr6  1  0.000  0.341  0.914  1.0
  Cr  Cr7  1  0.500  0.153  0.088  1.0
  Cu  Cu8  1  0.500  0.481  0.646  1.0
  Cu  Cu9  1  0.000  0.992  0.291  1.0
  Cu  Cu10  1  0.000  0.519  0.146  1.0
  Cu  Cu11  1  0.500  0.008  0.791  1.0
  S  S12  1  0.000  0.681  0.288  1.0
  S  S13  1  0.500  0.811  0.716  1.0
  S  S14  1  0.500  0.319  0.788  1.0
  S  S15  1  0.000  0.189  0.216  1.0
  S  S16  1  0.500  0.653  0.075  1.0
  S  S17  1  0.000  0.855  0.946  1.0
  S  S18  1  0.000  0.347  0.575  1.0
  S  S19  1  0.500  0.145  0.446  1.0
  S  S20  1  0.000  0.635  0.550  1.0
  S  S21  1  0.500  0.865  0.460  1.0
  S  S22  1  0.500  0.365  0.050  1.0
  S  S23  1  0.000  0.135  0.960  1.0
  S  S24  1  0.000  0.556  0.847  1.0
  S  S25  1  0.500  0.943  0.168  1.0
  S  S26  1  0.500  0.444  0.347  1.0
  S  S27  1  0.000  0.057  0.668  1.0
[/CIF]
.