The crystal structure described by DyCuS2 is Ilmenite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. Dy(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form DyS6 octahedra that share corners with four equivalent Dy(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with four equivalent Dy(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-52°. Cu(1) is bonded to one S(2) and three equivalent S(1) atoms to form CuS4 tetrahedra that share corners with six equivalent Dy(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with three equivalent Dy(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-59°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and three equivalent Cu(1) atoms to form distorted edge-sharing SDy3Cu3 octahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Dy(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_DyCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   6.258
_cell_length_c   13.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.989
_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
  Dy  Dy0  1  0.742  0.748  0.367  1.0
  Dy  Dy1  1  0.758  0.252  0.867  1.0
  Dy  Dy2  1  0.258  0.248  0.133  1.0
  Dy  Dy3  1  0.242  0.752  0.633  1.0
  Cu  Cu4  1  0.727  0.374  0.547  1.0
  Cu  Cu5  1  0.773  0.626  0.047  1.0
  Cu  Cu6  1  0.273  0.874  0.953  1.0
  Cu  Cu7  1  0.227  0.126  0.453  1.0
  S  S8  1  0.260  0.497  0.961  1.0
  S  S9  1  0.740  0.997  0.539  1.0
  S  S10  1  0.240  0.503  0.461  1.0
  S  S11  1  0.243  0.987  0.295  1.0
  S  S12  1  0.760  0.003  0.039  1.0
  S  S13  1  0.257  0.013  0.795  1.0
  S  S14  1  0.757  0.487  0.205  1.0
  S  S15  1  0.743  0.513  0.705  1.0
[/CIF]
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The crystal structure described by DyCuS2 is Ilmenite-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. Dy(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form DyS6 octahedra that share corners with four equivalent Dy(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with four equivalent Dy(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-52°. Cu(1) is bonded to one S(2) and three equivalent S(1) atoms to form CuS4 tetrahedra that share corners with six equivalent Dy(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with three equivalent Dy(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-59°. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Dy(1) and three equivalent Cu(1) atoms to form distorted edge-sharing SDy3Cu3 octahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Dy(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_DyCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   6.258
_cell_length_c   13.476
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   333.989
_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
  Dy  Dy0  1  0.742  0.748  0.367  1.0
  Dy  Dy1  1  0.758  0.252  0.867  1.0
  Dy  Dy2  1  0.258  0.248  0.133  1.0
  Dy  Dy3  1  0.242  0.752  0.633  1.0
  Cu  Cu4  1  0.727  0.374  0.547  1.0
  Cu  Cu5  1  0.773  0.626  0.047  1.0
  Cu  Cu6  1  0.273  0.874  0.953  1.0
  Cu  Cu7  1  0.227  0.126  0.453  1.0
  S  S8  1  0.260  0.497  0.961  1.0
  S  S9  1  0.740  0.997  0.539  1.0
  S  S10  1  0.240  0.503  0.461  1.0
  S  S11  1  0.243  0.987  0.295  1.0
  S  S12  1  0.760  0.003  0.039  1.0
  S  S13  1  0.257  0.013  0.795  1.0
  S  S14  1  0.757  0.487  0.205  1.0
  S  S15  1  0.743  0.513  0.705  1.0
[/CIF]
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