The structure described by Dy(CuS)3 crystallizes in the trigonal R-3 space group. Dy(1) is bonded to six equivalent S(1) atoms to form DyS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Dy(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Dy(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. S(1) is bonded in a 6-coordinate geometry to two equivalent Dy(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Dy(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.413
_cell_length_b   7.413
_cell_length_c   7.413
_cell_angle_alpha   53.287
_cell_angle_beta   53.287
_cell_angle_gamma   53.287
_symmetry_Int_Tables_number   1
_cell_volume   242.722
_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
  Dy  Dy0  1  0.833  0.833  0.833  1.0
  Dy  Dy1  1  0.167  0.167  0.167  1.0
  Cu  Cu2  1  0.964  0.624  0.282  1.0
  Cu  Cu3  1  0.282  0.964  0.624  1.0
  Cu  Cu4  1  0.624  0.282  0.964  1.0
  Cu  Cu5  1  0.376  0.718  0.036  1.0
  Cu  Cu6  1  0.718  0.036  0.376  1.0
  Cu  Cu7  1  0.036  0.376  0.718  1.0
  S  S8  1  0.747  0.417  0.084  1.0
  S  S9  1  0.417  0.084  0.747  1.0
  S  S10  1  0.084  0.747  0.417  1.0
  S  S11  1  0.916  0.253  0.583  1.0
  S  S12  1  0.583  0.916  0.253  1.0
  S  S13  1  0.253  0.583  0.916  1.0
[/CIF]
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The structure described by Dy(CuS)3 crystallizes in the trigonal R-3 space group. Dy(1) is bonded to six equivalent S(1) atoms to form DyS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Dy(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Dy(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-55°. S(1) is bonded in a 6-coordinate geometry to two equivalent Dy(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Dy(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.413
_cell_length_b   7.413
_cell_length_c   7.413
_cell_angle_alpha   53.287
_cell_angle_beta   53.287
_cell_angle_gamma   53.287
_symmetry_Int_Tables_number   1
_cell_volume   242.722
_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
  Dy  Dy0  1  0.833  0.833  0.833  1.0
  Dy  Dy1  1  0.167  0.167  0.167  1.0
  Cu  Cu2  1  0.964  0.624  0.282  1.0
  Cu  Cu3  1  0.282  0.964  0.624  1.0
  Cu  Cu4  1  0.624  0.282  0.964  1.0
  Cu  Cu5  1  0.376  0.718  0.036  1.0
  Cu  Cu6  1  0.718  0.036  0.376  1.0
  Cu  Cu7  1  0.036  0.376  0.718  1.0
  S  S8  1  0.747  0.417  0.084  1.0
  S  S9  1  0.417  0.084  0.747  1.0
  S  S10  1  0.084  0.747  0.417  1.0
  S  S11  1  0.916  0.253  0.583  1.0
  S  S12  1  0.583  0.916  0.253  1.0
  S  S13  1  0.253  0.583  0.916  1.0
[/CIF]
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