The compound described by Rh3Sn2S2 crystallizes in the trigonal R-3m space group. Rh(1) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent S(1) atoms to form distorted RhSn4S2 octahedra that share corners with two equivalent Sn(2)Rh6S2 hexagonal bipyramids, corners with twelve equivalent Rh(1)Sn4S2 octahedra, and faces with four equivalent Rh(1)Sn4S2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted hexagonal planar geometry to six equivalent Rh(1) atoms. In the second Sn site, Sn(2) is bonded to six equivalent Rh(1) and two equivalent S(1) atoms to form SnRh6S2 hexagonal bipyramids that share corners with six equivalent Sn(2)Rh6S2 hexagonal bipyramids and corners with six equivalent Rh(1)Sn4S2 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 Sn(2) atom. is represented by the CIF file [CIF]
data_Sn2Rh3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   5.524
_cell_angle_alpha   62.049
_cell_angle_beta   62.050
_cell_angle_gamma   62.049
_symmetry_Int_Tables_number   1
_cell_volume   124.681
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  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  0.712  0.712  0.712  1.0
  S  S6  1  0.288  0.288  0.288  1.0
[/CIF]
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The compound described by Rh3Sn2S2 crystallizes in the trigonal R-3m space group. Rh(1) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent S(1) atoms to form distorted RhSn4S2 octahedra that share corners with two equivalent Sn(2)Rh6S2 hexagonal bipyramids, corners with twelve equivalent Rh(1)Sn4S2 octahedra, and faces with four equivalent Rh(1)Sn4S2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted hexagonal planar geometry to six equivalent Rh(1) atoms. In the second Sn site, Sn(2) is bonded to six equivalent Rh(1) and two equivalent S(1) atoms to form SnRh6S2 hexagonal bipyramids that share corners with six equivalent Sn(2)Rh6S2 hexagonal bipyramids and corners with six equivalent Rh(1)Sn4S2 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 Sn(2) atom. is represented by the CIF file [CIF]
data_Sn2Rh3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.524
_cell_length_b   5.524
_cell_length_c   5.524
_cell_angle_alpha   62.049
_cell_angle_beta   62.050
_cell_angle_gamma   62.049
_symmetry_Int_Tables_number   1
_cell_volume   124.681
_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
  Sn  Sn0  1  0.000  0.000  0.000  1.0
  Sn  Sn1  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  0.712  0.712  0.712  1.0
  S  S6  1  0.288  0.288  0.288  1.0
[/CIF]
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