The structure described by HfCrCuS4 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one S(1), one S(4), two equivalent S(3), and two equivalent S(8) atoms to form HfS6 octahedra that share corners with two equivalent Hf(2)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second Hf site, Hf(2) is bonded to one S(6), one S(7), two equivalent S(1), and two equivalent S(5) atoms to form HfS6 octahedra that share corners with two equivalent Hf(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are two 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 distorted CrS6 octahedra that share corners with two equivalent Hf(2)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Cr site, Cr(2) 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 Hf(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. 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 5-coordinate geometry to one S(2), two equivalent S(4), and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Hf(1), two equivalent Hf(2), and one Cu(1) atom to form distorted SHf3Cu tetrahedra that share  a cornercorner with one S(4)HfCr2Cu2 square pyramid, corners with two equivalent S(1)Hf3Cu tetrahedra, corners with four equivalent S(5)Hf2CrCu2 trigonal bipyramids,  an edgeedge with one S(5)Hf2CrCu2 trigonal bipyramid, and edges with two equivalent S(3)Hf2CrCu2 trigonal bipyramids. In the second S site, S(2) is bonded to one Cr(1), two equivalent Cr(2), and one Cu(2) atom to form SCr3Cu tetrahedra that share corners with two equivalent S(2)Cr3Cu tetrahedra,  a cornercorner with one S(3)Hf2CrCu2 trigonal bipyramid, corners with two equivalent S(5)Hf2CrCu2 trigonal bipyramids, and edges with two equivalent S(4)HfCr2Cu2 square pyramids. In the third S site, S(3) is bonded to two equivalent Hf(1), one Cr(1), and two equivalent Cu(1) atoms to form distorted SHf2CrCu2 trigonal bipyramids that share  a cornercorner with one S(2)Cr3Cu tetrahedra, corners with two equivalent S(5)Hf2CrCu2 trigonal bipyramids, edges with two equivalent S(4)HfCr2Cu2 square pyramids, edges with two equivalent S(1)Hf3Cu tetrahedra,  an edgeedge with one S(5)Hf2CrCu2 trigonal bipyramid, and edges with two equivalent S(3)Hf2CrCu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Hf(1), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted SHfCr2Cu2 square pyramids that share  a cornercorner with one S(1)Hf3Cu tetrahedra, edges with two equivalent S(4)HfCr2Cu2 square pyramids, edges with two equivalent S(2)Cr3Cu tetrahedra, and edges with two equivalent S(3)Hf2CrCu2 trigonal bipyramids. In the fifth S site, S(5) is bonded to two equivalent Hf(2), one Cr(2), and two equivalent Cu(1) atoms to form distorted SHf2CrCu2 trigonal bipyramids that share corners with two equivalent S(2)Cr3Cu tetrahedra, corners with four equivalent S(1)Hf3Cu tetrahedra, corners with two equivalent S(3)Hf2CrCu2 trigonal bipyramids,  an edgeedge with one S(1)Hf3Cu tetrahedra,  an edgeedge with one S(3)Hf2CrCu2 trigonal bipyramid, and edges with two equivalent S(5)Hf2CrCu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Hf(2) and two equivalent Cr(2) atoms. In the seventh S site, S(7) is bonded in a trigonal planar geometry to one Hf(2) and two equivalent Cr(1) atoms. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Cr(2), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_HfCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.314
_cell_length_b   3.549
_cell_length_c   12.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.120
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.937  0.750  0.886  1.0
  Hf  Hf1  1  0.563  0.250  0.386  1.0
  Hf  Hf2  1  0.110  0.250  0.578  1.0
  Hf  Hf3  1  0.390  0.750  0.078  1.0
  Cr  Cr4  1  0.042  0.250  0.118  1.0
  Cr  Cr5  1  0.458  0.750  0.618  1.0
  Cr  Cr6  1  0.932  0.750  0.408  1.0
  Cr  Cr7  1  0.568  0.250  0.908  1.0
  Cu  Cu8  1  0.277  0.250  0.357  1.0
  Cu  Cu9  1  0.696  0.750  0.676  1.0
  Cu  Cu10  1  0.223  0.750  0.857  1.0
  Cu  Cu11  1  0.804  0.250  0.176  1.0
  S  S12  1  0.080  0.750  0.718  1.0
  S  S13  1  0.957  0.250  0.290  1.0
  S  S14  1  0.420  0.250  0.218  1.0
  S  S15  1  0.543  0.750  0.790  1.0
  S  S16  1  0.088  0.250  0.937  1.0
  S  S17  1  0.890  0.750  0.077  1.0
  S  S18  1  0.412  0.750  0.437  1.0
  S  S19  1  0.610  0.250  0.577  1.0
  S  S20  1  0.140  0.750  0.435  1.0
  S  S21  1  0.897  0.250  0.534  1.0
  S  S22  1  0.360  0.250  0.935  1.0
  S  S23  1  0.603  0.750  0.034  1.0
  S  S24  1  0.175  0.750  0.150  1.0
  S  S25  1  0.791  0.250  0.834  1.0
  S  S26  1  0.325  0.250  0.650  1.0
  S  S27  1  0.709  0.750  0.334  1.0
[/CIF]
.
The structure described by HfCrCuS4 crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to one S(1), one S(4), two equivalent S(3), and two equivalent S(8) atoms to form HfS6 octahedra that share corners with two equivalent Hf(2)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second Hf site, Hf(2) is bonded to one S(6), one S(7), two equivalent S(1), and two equivalent S(5) atoms to form HfS6 octahedra that share corners with two equivalent Hf(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. There are two 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 distorted CrS6 octahedra that share corners with two equivalent Hf(2)S6 octahedra, corners with two equivalent Cr(2)S6 octahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the second Cr site, Cr(2) 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 Hf(1)S6 octahedra, corners with two equivalent Cr(1)S6 octahedra, edges with two equivalent Hf(2)S6 octahedra, and edges with two equivalent Cr(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-59°. 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 5-coordinate geometry to one S(2), two equivalent S(4), and two equivalent S(8) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to one Hf(1), two equivalent Hf(2), and one Cu(1) atom to form distorted SHf3Cu tetrahedra that share  a cornercorner with one S(4)HfCr2Cu2 square pyramid, corners with two equivalent S(1)Hf3Cu tetrahedra, corners with four equivalent S(5)Hf2CrCu2 trigonal bipyramids,  an edgeedge with one S(5)Hf2CrCu2 trigonal bipyramid, and edges with two equivalent S(3)Hf2CrCu2 trigonal bipyramids. In the second S site, S(2) is bonded to one Cr(1), two equivalent Cr(2), and one Cu(2) atom to form SCr3Cu tetrahedra that share corners with two equivalent S(2)Cr3Cu tetrahedra,  a cornercorner with one S(3)Hf2CrCu2 trigonal bipyramid, corners with two equivalent S(5)Hf2CrCu2 trigonal bipyramids, and edges with two equivalent S(4)HfCr2Cu2 square pyramids. In the third S site, S(3) is bonded to two equivalent Hf(1), one Cr(1), and two equivalent Cu(1) atoms to form distorted SHf2CrCu2 trigonal bipyramids that share  a cornercorner with one S(2)Cr3Cu tetrahedra, corners with two equivalent S(5)Hf2CrCu2 trigonal bipyramids, edges with two equivalent S(4)HfCr2Cu2 square pyramids, edges with two equivalent S(1)Hf3Cu tetrahedra,  an edgeedge with one S(5)Hf2CrCu2 trigonal bipyramid, and edges with two equivalent S(3)Hf2CrCu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Hf(1), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted SHfCr2Cu2 square pyramids that share  a cornercorner with one S(1)Hf3Cu tetrahedra, edges with two equivalent S(4)HfCr2Cu2 square pyramids, edges with two equivalent S(2)Cr3Cu tetrahedra, and edges with two equivalent S(3)Hf2CrCu2 trigonal bipyramids. In the fifth S site, S(5) is bonded to two equivalent Hf(2), one Cr(2), and two equivalent Cu(1) atoms to form distorted SHf2CrCu2 trigonal bipyramids that share corners with two equivalent S(2)Cr3Cu tetrahedra, corners with four equivalent S(1)Hf3Cu tetrahedra, corners with two equivalent S(3)Hf2CrCu2 trigonal bipyramids,  an edgeedge with one S(1)Hf3Cu tetrahedra,  an edgeedge with one S(3)Hf2CrCu2 trigonal bipyramid, and edges with two equivalent S(5)Hf2CrCu2 trigonal bipyramids. In the sixth S site, S(6) is bonded in a distorted T-shaped geometry to one Hf(2) and two equivalent Cr(2) atoms. In the seventh S site, S(7) is bonded in a trigonal planar geometry to one Hf(2) and two equivalent Cr(1) atoms. In the eighth S site, S(8) is bonded in a 5-coordinate geometry to two equivalent Hf(1), one Cr(2), and two equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_HfCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.314
_cell_length_b   3.549
_cell_length_c   12.728
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   511.120
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.937  0.750  0.886  1.0
  Hf  Hf1  1  0.563  0.250  0.386  1.0
  Hf  Hf2  1  0.110  0.250  0.578  1.0
  Hf  Hf3  1  0.390  0.750  0.078  1.0
  Cr  Cr4  1  0.042  0.250  0.118  1.0
  Cr  Cr5  1  0.458  0.750  0.618  1.0
  Cr  Cr6  1  0.932  0.750  0.408  1.0
  Cr  Cr7  1  0.568  0.250  0.908  1.0
  Cu  Cu8  1  0.277  0.250  0.357  1.0
  Cu  Cu9  1  0.696  0.750  0.676  1.0
  Cu  Cu10  1  0.223  0.750  0.857  1.0
  Cu  Cu11  1  0.804  0.250  0.176  1.0
  S  S12  1  0.080  0.750  0.718  1.0
  S  S13  1  0.957  0.250  0.290  1.0
  S  S14  1  0.420  0.250  0.218  1.0
  S  S15  1  0.543  0.750  0.790  1.0
  S  S16  1  0.088  0.250  0.937  1.0
  S  S17  1  0.890  0.750  0.077  1.0
  S  S18  1  0.412  0.750  0.437  1.0
  S  S19  1  0.610  0.250  0.577  1.0
  S  S20  1  0.140  0.750  0.435  1.0
  S  S21  1  0.897  0.250  0.534  1.0
  S  S22  1  0.360  0.250  0.935  1.0
  S  S23  1  0.603  0.750  0.034  1.0
  S  S24  1  0.175  0.750  0.150  1.0
  S  S25  1  0.791  0.250  0.834  1.0
  S  S26  1  0.325  0.250  0.650  1.0
  S  S27  1  0.709  0.750  0.334  1.0
[/CIF]
.