The compound described by TbCu3S3 crystallizes in the trigonal R-3 space group. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Tb(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 Tb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Tb(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 Tb(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.439
_cell_length_b   7.439
_cell_length_c   7.439
_cell_angle_alpha   53.178
_cell_angle_beta   53.178
_cell_angle_gamma   53.178
_symmetry_Int_Tables_number   1
_cell_volume   244.536
_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
  Tb  Tb0  1  0.833  0.833  0.833  1.0
  Tb  Tb1  1  0.167  0.167  0.167  1.0
  Cu  Cu2  1  0.624  0.282  0.964  1.0
  Cu  Cu3  1  0.964  0.624  0.282  1.0
  Cu  Cu4  1  0.282  0.964  0.624  1.0
  Cu  Cu5  1  0.718  0.036  0.376  1.0
  Cu  Cu6  1  0.036  0.376  0.718  1.0
  Cu  Cu7  1  0.376  0.718  0.036  1.0
  S  S8  1  0.416  0.083  0.747  1.0
  S  S9  1  0.083  0.747  0.416  1.0
  S  S10  1  0.747  0.416  0.083  1.0
  S  S11  1  0.253  0.584  0.917  1.0
  S  S12  1  0.917  0.253  0.584  1.0
  S  S13  1  0.584  0.917  0.253  1.0
[/CIF]
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The compound described by TbCu3S3 crystallizes in the trigonal R-3 space group. Tb(1) is bonded to six equivalent S(1) atoms to form TbS6 octahedra that share corners with twelve equivalent Cu(1)S4 tetrahedra, edges with three equivalent Tb(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 Tb(1)S6 octahedra, corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Tb(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 Tb(1) and four equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb(CuS)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.439
_cell_length_b   7.439
_cell_length_c   7.439
_cell_angle_alpha   53.178
_cell_angle_beta   53.178
_cell_angle_gamma   53.178
_symmetry_Int_Tables_number   1
_cell_volume   244.536
_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
  Tb  Tb0  1  0.833  0.833  0.833  1.0
  Tb  Tb1  1  0.167  0.167  0.167  1.0
  Cu  Cu2  1  0.624  0.282  0.964  1.0
  Cu  Cu3  1  0.964  0.624  0.282  1.0
  Cu  Cu4  1  0.282  0.964  0.624  1.0
  Cu  Cu5  1  0.718  0.036  0.376  1.0
  Cu  Cu6  1  0.036  0.376  0.718  1.0
  Cu  Cu7  1  0.376  0.718  0.036  1.0
  S  S8  1  0.416  0.083  0.747  1.0
  S  S9  1  0.083  0.747  0.416  1.0
  S  S10  1  0.747  0.416  0.083  1.0
  S  S11  1  0.253  0.584  0.917  1.0
  S  S12  1  0.917  0.253  0.584  1.0
  S  S13  1  0.584  0.917  0.253  1.0
[/CIF]
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