The material structure described by KPS3 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing PS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.908
_cell_length_b   7.096
_cell_length_c   7.096
_cell_angle_alpha   72.074
_cell_angle_beta   60.877
_cell_angle_gamma   60.877
_symmetry_Int_Tables_number   1
_cell_volume   264.318
_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  0.000  0.255  0.745  1.0
  K  K1  1  0.000  0.745  0.255  1.0
  P  P2  1  0.661  0.339  0.339  1.0
  P  P3  1  0.339  0.661  0.661  1.0
  S  S4  1  0.528  0.229  0.229  1.0
  S  S5  1  0.985  0.771  0.771  1.0
  S  S6  1  0.500  0.314  0.686  1.0
  S  S7  1  0.500  0.686  0.314  1.0
  S  S8  1  0.472  0.771  0.771  1.0
  S  S9  1  0.015  0.229  0.229  1.0
[/CIF]
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The material structure described by KPS3 crystallizes in the orthorhombic Immm space group. K(1) is bonded in a 10-coordinate geometry to two equivalent S(2) and eight equivalent S(1) atoms. P(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form edge-sharing PS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1) and two equivalent P(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KPS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.908
_cell_length_b   7.096
_cell_length_c   7.096
_cell_angle_alpha   72.074
_cell_angle_beta   60.877
_cell_angle_gamma   60.877
_symmetry_Int_Tables_number   1
_cell_volume   264.318
_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  0.000  0.255  0.745  1.0
  K  K1  1  0.000  0.745  0.255  1.0
  P  P2  1  0.661  0.339  0.339  1.0
  P  P3  1  0.339  0.661  0.661  1.0
  S  S4  1  0.528  0.229  0.229  1.0
  S  S5  1  0.985  0.771  0.771  1.0
  S  S6  1  0.500  0.314  0.686  1.0
  S  S7  1  0.500  0.686  0.314  1.0
  S  S8  1  0.472  0.771  0.771  1.0
  S  S9  1  0.015  0.229  0.229  1.0
[/CIF]
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