The structure described by Y(CuS)2 crystallizes in the trigonal P-3m1 space group. Y(1) is bonded to six equivalent S(1) atoms to form distorted YS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with six equivalent Y(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with three equivalent Y(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-53°. S(1) is bonded in a 7-coordinate geometry to three equivalent Y(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.927
_cell_length_b   3.927
_cell_length_c   6.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.680
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.658  1.0
  Cu  Cu2  1  0.333  0.667  0.342  1.0
  S  S3  1  0.667  0.333  0.267  1.0
  S  S4  1  0.333  0.667  0.733  1.0
[/CIF]
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The structure described by Y(CuS)2 crystallizes in the trigonal P-3m1 space group. Y(1) is bonded to six equivalent S(1) atoms to form distorted YS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with six equivalent Y(1)S6 octahedra, and edges with six equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with six equivalent Y(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with three equivalent Y(1)S6 octahedra, and edges with three equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-53°. S(1) is bonded in a 7-coordinate geometry to three equivalent Y(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.927
_cell_length_b   3.927
_cell_length_c   6.414
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   85.680
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.658  1.0
  Cu  Cu2  1  0.333  0.667  0.342  1.0
  S  S3  1  0.667  0.333  0.267  1.0
  S  S4  1  0.333  0.667  0.733  1.0
[/CIF]
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