The compound described by K2S crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to five equivalent S(1) atoms to form distorted KS5 trigonal bipyramids that share corners with twelve equivalent K(2)S6 octahedra, corners with eight equivalent K(1)S5 trigonal bipyramids, edges with six equivalent K(1)S5 trigonal bipyramids, and faces with six equivalent K(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second K site, K(2) is bonded to six equivalent S(1) atoms to form distorted KS6 octahedra that share corners with twelve equivalent K(2)S6 octahedra, corners with twelve equivalent K(1)S5 trigonal bipyramids, edges with six equivalent K(2)S6 octahedra, faces with two equivalent K(2)S6 octahedra, and faces with six equivalent K(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded in a 11-coordinate geometry to five equivalent K(1) and six equivalent K(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.303
_cell_length_c   7.294
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.617
_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  0.333  0.667  0.250  1.0
  K  K1  1  0.000  0.000  0.500  1.0
  K  K2  1  0.000  0.000  0.000  1.0
  K  K3  1  0.667  0.333  0.750  1.0
  S  S4  1  0.667  0.333  0.250  1.0
  S  S5  1  0.333  0.667  0.750  1.0
[/CIF]
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The compound described by K2S crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to five equivalent S(1) atoms to form distorted KS5 trigonal bipyramids that share corners with twelve equivalent K(2)S6 octahedra, corners with eight equivalent K(1)S5 trigonal bipyramids, edges with six equivalent K(1)S5 trigonal bipyramids, and faces with six equivalent K(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second K site, K(2) is bonded to six equivalent S(1) atoms to form distorted KS6 octahedra that share corners with twelve equivalent K(2)S6 octahedra, corners with twelve equivalent K(1)S5 trigonal bipyramids, edges with six equivalent K(2)S6 octahedra, faces with two equivalent K(2)S6 octahedra, and faces with six equivalent K(1)S5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. S(1) is bonded in a 11-coordinate geometry to five equivalent K(1) and six equivalent K(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   5.303
_cell_length_c   7.294
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.617
_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  0.333  0.667  0.250  1.0
  K  K1  1  0.000  0.000  0.500  1.0
  K  K2  1  0.000  0.000  0.000  1.0
  K  K3  1  0.667  0.333  0.750  1.0
  S  S4  1  0.667  0.333  0.250  1.0
  S  S5  1  0.333  0.667  0.750  1.0
[/CIF]
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