The compound described by Rh3Tl2S2 crystallizes in the trigonal R-3m space group. Rh(1) is bonded to two equivalent Tl(1), two equivalent Tl(2), and two equivalent S(1) atoms to form distorted RhTl4S2 octahedra that share corners with two equivalent Tl(2)Rh6S2 hexagonal bipyramids, corners with twelve equivalent Rh(1)Tl4S2 octahedra, and faces with four equivalent Rh(1)Tl4S2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted hexagonal planar geometry to six equivalent Rh(1) atoms. In the second Tl site, Tl(2) is bonded to six equivalent Rh(1) and two equivalent S(1) atoms to form TlRh6S2 hexagonal bipyramids that share corners with six equivalent Tl(2)Rh6S2 hexagonal bipyramids and corners with six equivalent Rh(1)Tl4S2 octahedra. The corner-sharing octahedral tilt angles are 46°. S(1) is bonded in a 4-coordinate geometry to three equivalent Rh(1) and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2Rh3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   5.735
_cell_length_c   5.735
_cell_angle_alpha   59.553
_cell_angle_beta   59.548
_cell_angle_gamma   59.553
_symmetry_Int_Tables_number   1
_cell_volume   132.000
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Rh  Rh2  1  0.000  0.000  0.500  1.0
  Rh  Rh3  1  0.500  0.000  0.000  1.0
  Rh  Rh4  1  0.000  0.500  0.000  1.0
  S  S5  1  0.720  0.720  0.720  1.0
  S  S6  1  0.280  0.280  0.280  1.0
[/CIF]
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The compound described by Rh3Tl2S2 crystallizes in the trigonal R-3m space group. Rh(1) is bonded to two equivalent Tl(1), two equivalent Tl(2), and two equivalent S(1) atoms to form distorted RhTl4S2 octahedra that share corners with two equivalent Tl(2)Rh6S2 hexagonal bipyramids, corners with twelve equivalent Rh(1)Tl4S2 octahedra, and faces with four equivalent Rh(1)Tl4S2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted hexagonal planar geometry to six equivalent Rh(1) atoms. In the second Tl site, Tl(2) is bonded to six equivalent Rh(1) and two equivalent S(1) atoms to form TlRh6S2 hexagonal bipyramids that share corners with six equivalent Tl(2)Rh6S2 hexagonal bipyramids and corners with six equivalent Rh(1)Tl4S2 octahedra. The corner-sharing octahedral tilt angles are 46°. S(1) is bonded in a 4-coordinate geometry to three equivalent Rh(1) and one Tl(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl2Rh3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   5.735
_cell_length_c   5.735
_cell_angle_alpha   59.553
_cell_angle_beta   59.548
_cell_angle_gamma   59.553
_symmetry_Int_Tables_number   1
_cell_volume   132.000
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.500  0.500  0.500  1.0
  Rh  Rh2  1  0.000  0.000  0.500  1.0
  Rh  Rh3  1  0.500  0.000  0.000  1.0
  Rh  Rh4  1  0.000  0.500  0.000  1.0
  S  S5  1  0.720  0.720  0.720  1.0
  S  S6  1  0.280  0.280  0.280  1.0
[/CIF]
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