The structure described by KPt2S3 is Ilmenite-like structured and crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent Pt(2) and three equivalent S(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to six equivalent S(1) atoms to form edge-sharing PtS6 octahedra. In the second Pt site, Pt(2) is bonded to two equivalent K(1) and four equivalent S(1) atoms to form distorted PtK2S4 octahedra that share corners with six equivalent S(1)KPt3 trigonal pyramids, edges with two equivalent Pt(1)S6 octahedra, and edges with four equivalent Pt(2)K2S4 octahedra. S(1) is bonded to one K(1), one Pt(1), and two equivalent Pt(2) atoms to form distorted SKPt3 trigonal pyramids that share corners with three equivalent Pt(2)K2S4 octahedra, corners with five equivalent S(1)KPt3 trigonal pyramids, and edges with four equivalent S(1)KPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 36-77°. is represented by the CIF file [CIF]
data_KPt2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   7.609
_cell_angle_alpha   55.515
_cell_angle_beta   55.515
_cell_angle_gamma   55.515
_symmetry_Int_Tables_number   1
_cell_volume   279.063
_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
  K  K0  1  0.694  0.694  0.694  1.0
  K  K1  1  0.306  0.306  0.306  1.0
  Pt  Pt2  1  0.500  0.500  0.500  1.0
  Pt  Pt3  1  0.000  0.000  0.500  1.0
  Pt  Pt4  1  0.500  0.000  0.000  1.0
  Pt  Pt5  1  0.000  0.500  0.000  1.0
  S  S6  1  0.732  0.220  0.732  1.0
  S  S7  1  0.732  0.732  0.220  1.0
  S  S8  1  0.220  0.732  0.732  1.0
  S  S9  1  0.780  0.268  0.268  1.0
  S  S10  1  0.268  0.780  0.268  1.0
  S  S11  1  0.268  0.268  0.780  1.0
[/CIF]
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The structure described by KPt2S3 is Ilmenite-like structured and crystallizes in the trigonal R-3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent Pt(2) and three equivalent S(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to six equivalent S(1) atoms to form edge-sharing PtS6 octahedra. In the second Pt site, Pt(2) is bonded to two equivalent K(1) and four equivalent S(1) atoms to form distorted PtK2S4 octahedra that share corners with six equivalent S(1)KPt3 trigonal pyramids, edges with two equivalent Pt(1)S6 octahedra, and edges with four equivalent Pt(2)K2S4 octahedra. S(1) is bonded to one K(1), one Pt(1), and two equivalent Pt(2) atoms to form distorted SKPt3 trigonal pyramids that share corners with three equivalent Pt(2)K2S4 octahedra, corners with five equivalent S(1)KPt3 trigonal pyramids, and edges with four equivalent S(1)KPt3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 36-77°. is represented by the CIF file [CIF]
data_KPt2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.609
_cell_length_b   7.609
_cell_length_c   7.609
_cell_angle_alpha   55.515
_cell_angle_beta   55.515
_cell_angle_gamma   55.515
_symmetry_Int_Tables_number   1
_cell_volume   279.063
_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
  K  K0  1  0.694  0.694  0.694  1.0
  K  K1  1  0.306  0.306  0.306  1.0
  Pt  Pt2  1  0.500  0.500  0.500  1.0
  Pt  Pt3  1  0.000  0.000  0.500  1.0
  Pt  Pt4  1  0.500  0.000  0.000  1.0
  Pt  Pt5  1  0.000  0.500  0.000  1.0
  S  S6  1  0.732  0.220  0.732  1.0
  S  S7  1  0.732  0.732  0.220  1.0
  S  S8  1  0.220  0.732  0.732  1.0
  S  S9  1  0.780  0.268  0.268  1.0
  S  S10  1  0.268  0.780  0.268  1.0
  S  S11  1  0.268  0.268  0.780  1.0
[/CIF]
.