The crystal structure described by Gd(CuS)3 crystallizes in the trigonal R-3 space group. Gd(1) is bonded to six equivalent S(1) atoms to form GdS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Gd(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 Gd(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Gd(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. S(1) is bonded in a 6-coordinate geometry to two equivalent Gd(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Gd(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.483
_cell_length_b   7.483
_cell_length_c   7.483
_cell_angle_alpha   52.965
_cell_angle_beta   52.965
_cell_angle_gamma   52.965
_symmetry_Int_Tables_number   1
_cell_volume   247.384
_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
  Gd  Gd0  1  0.667  0.667  0.667  1.0
  Gd  Gd1  1  0.333  0.333  0.333  1.0
  Cu  Cu2  1  0.783  0.464  0.124  1.0
  Cu  Cu3  1  0.464  0.124  0.783  1.0
  Cu  Cu4  1  0.124  0.783  0.464  1.0
  Cu  Cu5  1  0.876  0.217  0.536  1.0
  Cu  Cu6  1  0.536  0.876  0.217  1.0
  Cu  Cu7  1  0.217  0.536  0.876  1.0
  S  S8  1  0.246  0.915  0.583  1.0
  S  S9  1  0.583  0.246  0.915  1.0
  S  S10  1  0.915  0.583  0.246  1.0
  S  S11  1  0.085  0.417  0.754  1.0
  S  S12  1  0.417  0.754  0.085  1.0
  S  S13  1  0.754  0.085  0.417  1.0
[/CIF]
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The crystal structure described by Gd(CuS)3 crystallizes in the trigonal R-3 space group. Gd(1) is bonded to six equivalent S(1) atoms to form GdS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Gd(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 Gd(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Gd(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-55°. S(1) is bonded in a 6-coordinate geometry to two equivalent Gd(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Gd(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.483
_cell_length_b   7.483
_cell_length_c   7.483
_cell_angle_alpha   52.965
_cell_angle_beta   52.965
_cell_angle_gamma   52.965
_symmetry_Int_Tables_number   1
_cell_volume   247.384
_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
  Gd  Gd0  1  0.667  0.667  0.667  1.0
  Gd  Gd1  1  0.333  0.333  0.333  1.0
  Cu  Cu2  1  0.783  0.464  0.124  1.0
  Cu  Cu3  1  0.464  0.124  0.783  1.0
  Cu  Cu4  1  0.124  0.783  0.464  1.0
  Cu  Cu5  1  0.876  0.217  0.536  1.0
  Cu  Cu6  1  0.536  0.876  0.217  1.0
  Cu  Cu7  1  0.217  0.536  0.876  1.0
  S  S8  1  0.246  0.915  0.583  1.0
  S  S9  1  0.583  0.246  0.915  1.0
  S  S10  1  0.915  0.583  0.246  1.0
  S  S11  1  0.085  0.417  0.754  1.0
  S  S12  1  0.417  0.754  0.085  1.0
  S  S13  1  0.754  0.085  0.417  1.0
[/CIF]
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