The compound described by KSnS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Sn(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing SnS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1) and three equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing SK3Sn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-42°. In the second S site, S(2) is bonded to three equivalent K(1) and three equivalent Sn(1) atoms to form a mixture of corner, edge, and face-sharing SK3Sn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.900
_cell_length_b   7.900
_cell_length_c   7.900
_cell_angle_alpha   29.359
_cell_angle_beta   29.359
_cell_angle_gamma   29.359
_symmetry_Int_Tables_number   1
_cell_volume   104.882
_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
  K  K0  1  0.835  0.835  0.835  1.0
  Sn  Sn1  1  0.002  0.002  0.002  1.0
  S  S2  1  0.601  0.601  0.601  1.0
  S  S3  1  0.402  0.402  0.402  1.0
[/CIF]
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The compound described by KSnS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Sn(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing SnS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent K(1) and three equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing SK3Sn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-42°. In the second S site, S(2) is bonded to three equivalent K(1) and three equivalent Sn(1) atoms to form a mixture of corner, edge, and face-sharing SK3Sn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KSnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.900
_cell_length_b   7.900
_cell_length_c   7.900
_cell_angle_alpha   29.359
_cell_angle_beta   29.359
_cell_angle_gamma   29.359
_symmetry_Int_Tables_number   1
_cell_volume   104.882
_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
  K  K0  1  0.835  0.835  0.835  1.0
  Sn  Sn1  1  0.002  0.002  0.002  1.0
  S  S2  1  0.601  0.601  0.601  1.0
  S  S3  1  0.402  0.402  0.402  1.0
[/CIF]
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