The crystal structure described by KBi(PS3)2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 9-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Bi(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one P(2), one S(1), one S(4), and one S(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one P(1), one S(2), one S(3), and one S(5) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Bi(1), and one P(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one P(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Bi(1), and one P(2) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to two equivalent Bi(1) and one P(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one K(1), one Bi(1), and one P(2) atom. In the sixth S site, S(6) is bonded in a 1-coordinate geometry to one K(1), two equivalent Bi(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBi(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.571
_cell_length_b   6.759
_cell_length_c   10.058
_cell_angle_alpha   87.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.289
_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  0.475  0.702  0.498  1.0
  K  K1  1  0.975  0.298  0.502  1.0
  Bi  Bi2  1  0.228  0.211  0.982  1.0
  Bi  Bi3  1  0.728  0.789  0.018  1.0
  P  P4  1  0.684  0.312  0.828  1.0
  P  P5  1  0.959  0.796  0.298  1.0
  P  P6  1  0.184  0.688  0.172  1.0
  P  P7  1  0.459  0.204  0.702  1.0
  S  S8  1  0.772  0.572  0.750  1.0
  S  S9  1  0.540  0.177  0.517  1.0
  S  S10  1  0.769  0.589  0.269  1.0
  S  S11  1  0.570  0.345  0.014  1.0
  S  S12  1  0.380  0.952  0.810  1.0
  S  S13  1  0.269  0.411  0.731  1.0
  S  S14  1  0.070  0.655  0.986  1.0
  S  S15  1  0.880  0.048  0.190  1.0
  S  S16  1  0.040  0.823  0.483  1.0
  S  S17  1  0.372  0.909  0.170  1.0
  S  S18  1  0.872  0.091  0.830  1.0
  S  S19  1  0.272  0.428  0.250  1.0
[/CIF]
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The crystal structure described by KBi(PS3)2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 9-coordinate geometry to one S(5), one S(6), two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Bi(1) is bonded in a 7-coordinate geometry to one S(1), one S(3), one S(5), two equivalent S(4), and two equivalent S(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted tetrahedral geometry to one P(2), one S(1), one S(4), and one S(6) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one P(1), one S(2), one S(3), and one S(5) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Bi(1), and one P(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent K(1) and one P(2) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Bi(1), and one P(2) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to two equivalent Bi(1) and one P(1) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one K(1), one Bi(1), and one P(2) atom. In the sixth S site, S(6) is bonded in a 1-coordinate geometry to one K(1), two equivalent Bi(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBi(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.571
_cell_length_b   6.759
_cell_length_c   10.058
_cell_angle_alpha   87.781
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   514.289
_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  0.475  0.702  0.498  1.0
  K  K1  1  0.975  0.298  0.502  1.0
  Bi  Bi2  1  0.228  0.211  0.982  1.0
  Bi  Bi3  1  0.728  0.789  0.018  1.0
  P  P4  1  0.684  0.312  0.828  1.0
  P  P5  1  0.959  0.796  0.298  1.0
  P  P6  1  0.184  0.688  0.172  1.0
  P  P7  1  0.459  0.204  0.702  1.0
  S  S8  1  0.772  0.572  0.750  1.0
  S  S9  1  0.540  0.177  0.517  1.0
  S  S10  1  0.769  0.589  0.269  1.0
  S  S11  1  0.570  0.345  0.014  1.0
  S  S12  1  0.380  0.952  0.810  1.0
  S  S13  1  0.269  0.411  0.731  1.0
  S  S14  1  0.070  0.655  0.986  1.0
  S  S15  1  0.880  0.048  0.190  1.0
  S  S16  1  0.040  0.823  0.483  1.0
  S  S17  1  0.372  0.909  0.170  1.0
  S  S18  1  0.872  0.091  0.830  1.0
  S  S19  1  0.272  0.428  0.250  1.0
[/CIF]
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