The compound described by Yb(CuS)2 crystallizes in the trigonal P-3m1 space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with six equivalent Yb(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 six equivalent Yb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with three equivalent Yb(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-54°. S(1) is bonded to three equivalent Yb(1) and four equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SYb3Cu4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Yb(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.868
_cell_length_b   3.868
_cell_length_c   6.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.327
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.635  1.0
  Cu  Cu2  1  0.333  0.667  0.365  1.0
  S  S3  1  0.667  0.333  0.255  1.0
  S  S4  1  0.333  0.667  0.745  1.0
[/CIF]
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The compound described by Yb(CuS)2 crystallizes in the trigonal P-3m1 space group. Yb(1) is bonded to six equivalent S(1) atoms to form YbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with six equivalent Yb(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 six equivalent Yb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with three equivalent Yb(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-54°. S(1) is bonded to three equivalent Yb(1) and four equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SYb3Cu4 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Yb(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.868
_cell_length_b   3.868
_cell_length_c   6.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   82.327
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.635  1.0
  Cu  Cu2  1  0.333  0.667  0.365  1.0
  S  S3  1  0.667  0.333  0.255  1.0
  S  S4  1  0.333  0.667  0.745  1.0
[/CIF]
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