The compound described by Tb(CuS)2 crystallizes in the trigonal P-3m1 space group. Tb(1) is bonded to six equivalent Cu(1) and six equivalent S(1) atoms to form distorted face-sharing TbCu6S6 cuboctahedra. Cu(1) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and four equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Tb(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   3.954
_cell_length_c   6.372
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   86.270
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.671  1.0
  Cu  Cu2  1  0.333  0.667  0.329  1.0
  S  S3  1  0.667  0.333  0.271  1.0
  S  S4  1  0.333  0.667  0.729  1.0
[/CIF]
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The compound described by Tb(CuS)2 crystallizes in the trigonal P-3m1 space group. Tb(1) is bonded to six equivalent Cu(1) and six equivalent S(1) atoms to form distorted face-sharing TbCu6S6 cuboctahedra. Cu(1) is bonded in a 4-coordinate geometry to three equivalent Tb(1) and four equivalent S(1) atoms. S(1) is bonded in a 7-coordinate geometry to three equivalent Tb(1) and four equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Tb(CuS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.954
_cell_length_b   3.954
_cell_length_c   6.372
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   86.270
_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
  Tb  Tb0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.667  0.333  0.671  1.0
  Cu  Cu2  1  0.333  0.667  0.329  1.0
  S  S3  1  0.667  0.333  0.271  1.0
  S  S4  1  0.333  0.667  0.729  1.0
[/CIF]
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