The material described by HfCrCuS4 is Spinel-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. Hf(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form HfS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Hf(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Hf(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Hf(1), 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 two equivalent Hf(1), one Cr(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.162
_cell_length_b   7.162
_cell_length_c   7.162
_cell_angle_alpha   119.519
_cell_angle_beta   119.275
_cell_angle_gamma   91.048
_symmetry_Int_Tables_number   1
_cell_volume   262.114
_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
  Hf  Hf0  1  0.263  0.750  0.013  1.0
  Hf  Hf1  1  0.237  0.250  0.487  1.0
  Cr  Cr2  1  0.250  0.752  0.502  1.0
  Cr  Cr3  1  0.750  0.748  0.998  1.0
  Cu  Cu4  1  0.877  0.127  0.750  1.0
  Cu  Cu5  1  0.623  0.373  0.250  1.0
  S  S6  1  0.503  0.980  0.979  1.0
  S  S7  1  0.012  0.515  0.513  1.0
  S  S8  1  0.501  0.524  0.521  1.0
  S  S9  1  0.502  0.499  0.987  1.0
  S  S10  1  0.999  0.520  0.024  1.0
  S  S11  1  0.998  0.985  0.997  1.0
  S  S12  1  0.997  0.976  0.476  1.0
  S  S13  1  0.488  0.001  0.503  1.0
[/CIF]
.
The material described by HfCrCuS4 is Spinel-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. Hf(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form HfS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Hf(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Hf(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Hf(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Hf(1), 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 two equivalent Hf(1), one Cr(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfCrCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.162
_cell_length_b   7.162
_cell_length_c   7.162
_cell_angle_alpha   119.519
_cell_angle_beta   119.275
_cell_angle_gamma   91.048
_symmetry_Int_Tables_number   1
_cell_volume   262.114
_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
  Hf  Hf0  1  0.263  0.750  0.013  1.0
  Hf  Hf1  1  0.237  0.250  0.487  1.0
  Cr  Cr2  1  0.250  0.752  0.502  1.0
  Cr  Cr3  1  0.750  0.748  0.998  1.0
  Cu  Cu4  1  0.877  0.127  0.750  1.0
  Cu  Cu5  1  0.623  0.373  0.250  1.0
  S  S6  1  0.503  0.980  0.979  1.0
  S  S7  1  0.012  0.515  0.513  1.0
  S  S8  1  0.501  0.524  0.521  1.0
  S  S9  1  0.502  0.499  0.987  1.0
  S  S10  1  0.999  0.520  0.024  1.0
  S  S11  1  0.998  0.985  0.997  1.0
  S  S12  1  0.997  0.976  0.476  1.0
  S  S13  1  0.488  0.001  0.503  1.0
[/CIF]
.