The structure described by KBi(PSe3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(5), two equivalent Se(3), and three equivalent Se(2) atoms. Bi(1) is bonded to one Se(1), one Se(3), one Se(5), one Se(6), and two equivalent Se(4) atoms to form distorted BiSe6 pentagonal pyramids that share corners with two equivalent Bi(1)Se6 pentagonal pyramids,  a cornercorner with one P(1)PSe3 tetrahedra, corners with three equivalent P(2)PSe3 tetrahedra, and  an edgeedge with one P(1)PSe3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one Se(3), one Se(5), and one Se(6) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one Bi(1)Se6 pentagonal pyramid and  an edgeedge with one Bi(1)Se6 pentagonal pyramid. In the second P site, P(2) is bonded to one P(1), one Se(1), one Se(2), and one Se(4) atom to form distorted PPSe3 tetrahedra that share corners with three equivalent Bi(1)Se6 pentagonal pyramids. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one K(1), one Bi(1), and one P(2) atom. In the second Se site, Se(2) is bonded in a see-saw-like geometry to three equivalent K(1) and one P(2) atom. In the third Se site, Se(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Bi(1), and one P(1) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Bi(1) and one P(2) atom. In the fifth Se site, Se(5) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Bi(1), and one P(1) atom. In the sixth Se site, Se(6) is bonded in an L-shaped geometry to one Bi(1) and one P(1) atom. is represented by the CIF card [CIF]
data_KBi(PSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   12.486
_cell_length_c   12.579
_cell_angle_alpha   111.034
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1121.017
_cell_formula_units_Z   4
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  0.587  0.410  0.135  1.0
  K  K1  1  0.413  0.590  0.865  1.0
  K  K2  1  0.913  0.410  0.635  1.0
  K  K3  1  0.087  0.590  0.365  1.0
  Bi  Bi4  1  0.650  0.879  0.667  1.0
  Bi  Bi5  1  0.150  0.121  0.833  1.0
  Bi  Bi6  1  0.350  0.121  0.333  1.0
  Bi  Bi7  1  0.850  0.879  0.167  1.0
  P  P8  1  0.095  0.237  0.183  1.0
  P  P9  1  0.624  0.236  0.802  1.0
  P  P10  1  0.876  0.236  0.302  1.0
  P  P11  1  0.124  0.764  0.698  1.0
  P  P12  1  0.405  0.237  0.683  1.0
  P  P13  1  0.595  0.763  0.317  1.0
  P  P14  1  0.376  0.764  0.198  1.0
  P  P15  1  0.905  0.763  0.817  1.0
  Se  Se16  1  0.502  0.166  0.923  1.0
  Se  Se17  1  0.229  0.594  0.622  1.0
  Se  Se18  1  0.699  0.664  0.702  1.0
  Se  Se19  1  0.313  0.886  0.810  1.0
  Se  Se20  1  0.498  0.834  0.077  1.0
  Se  Se21  1  0.187  0.886  0.310  1.0
  Se  Se22  1  0.199  0.336  0.798  1.0
  Se  Se23  1  0.801  0.664  0.202  1.0
  Se  Se24  1  0.729  0.406  0.878  1.0
  Se  Se25  1  0.499  0.306  0.559  1.0
  Se  Se26  1  0.271  0.594  0.122  1.0
  Se  Se27  1  0.809  0.942  0.887  1.0
  Se  Se28  1  0.813  0.114  0.690  1.0
  Se  Se29  1  0.501  0.694  0.441  1.0
  Se  Se30  1  0.301  0.336  0.298  1.0
  Se  Se31  1  0.309  0.058  0.613  1.0
  Se  Se32  1  0.191  0.058  0.113  1.0
  Se  Se33  1  0.687  0.114  0.190  1.0
  Se  Se34  1  0.998  0.166  0.423  1.0
  Se  Se35  1  0.002  0.834  0.577  1.0
  Se  Se36  1  0.999  0.694  0.941  1.0
  Se  Se37  1  0.691  0.942  0.387  1.0
  Se  Se38  1  0.001  0.306  0.059  1.0
  Se  Se39  1  0.771  0.406  0.378  1.0
[/CIF]
.
The structure described by KBi(PSe3)2 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(5), two equivalent Se(3), and three equivalent Se(2) atoms. Bi(1) is bonded to one Se(1), one Se(3), one Se(5), one Se(6), and two equivalent Se(4) atoms to form distorted BiSe6 pentagonal pyramids that share corners with two equivalent Bi(1)Se6 pentagonal pyramids,  a cornercorner with one P(1)PSe3 tetrahedra, corners with three equivalent P(2)PSe3 tetrahedra, and  an edgeedge with one P(1)PSe3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one Se(3), one Se(5), and one Se(6) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one Bi(1)Se6 pentagonal pyramid and  an edgeedge with one Bi(1)Se6 pentagonal pyramid. In the second P site, P(2) is bonded to one P(1), one Se(1), one Se(2), and one Se(4) atom to form distorted PPSe3 tetrahedra that share corners with three equivalent Bi(1)Se6 pentagonal pyramids. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one K(1), one Bi(1), and one P(2) atom. In the second Se site, Se(2) is bonded in a see-saw-like geometry to three equivalent K(1) and one P(2) atom. In the third Se site, Se(3) is bonded in a distorted see-saw-like geometry to two equivalent K(1), one Bi(1), and one P(1) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Bi(1) and one P(2) atom. In the fifth Se site, Se(5) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Bi(1), and one P(1) atom. In the sixth Se site, Se(6) is bonded in an L-shaped geometry to one Bi(1) and one P(1) atom. is represented by the CIF card [CIF]
data_KBi(PSe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.647
_cell_length_b   12.486
_cell_length_c   12.579
_cell_angle_alpha   111.034
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1121.017
_cell_formula_units_Z   4
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  0.587  0.410  0.135  1.0
  K  K1  1  0.413  0.590  0.865  1.0
  K  K2  1  0.913  0.410  0.635  1.0
  K  K3  1  0.087  0.590  0.365  1.0
  Bi  Bi4  1  0.650  0.879  0.667  1.0
  Bi  Bi5  1  0.150  0.121  0.833  1.0
  Bi  Bi6  1  0.350  0.121  0.333  1.0
  Bi  Bi7  1  0.850  0.879  0.167  1.0
  P  P8  1  0.095  0.237  0.183  1.0
  P  P9  1  0.624  0.236  0.802  1.0
  P  P10  1  0.876  0.236  0.302  1.0
  P  P11  1  0.124  0.764  0.698  1.0
  P  P12  1  0.405  0.237  0.683  1.0
  P  P13  1  0.595  0.763  0.317  1.0
  P  P14  1  0.376  0.764  0.198  1.0
  P  P15  1  0.905  0.763  0.817  1.0
  Se  Se16  1  0.502  0.166  0.923  1.0
  Se  Se17  1  0.229  0.594  0.622  1.0
  Se  Se18  1  0.699  0.664  0.702  1.0
  Se  Se19  1  0.313  0.886  0.810  1.0
  Se  Se20  1  0.498  0.834  0.077  1.0
  Se  Se21  1  0.187  0.886  0.310  1.0
  Se  Se22  1  0.199  0.336  0.798  1.0
  Se  Se23  1  0.801  0.664  0.202  1.0
  Se  Se24  1  0.729  0.406  0.878  1.0
  Se  Se25  1  0.499  0.306  0.559  1.0
  Se  Se26  1  0.271  0.594  0.122  1.0
  Se  Se27  1  0.809  0.942  0.887  1.0
  Se  Se28  1  0.813  0.114  0.690  1.0
  Se  Se29  1  0.501  0.694  0.441  1.0
  Se  Se30  1  0.301  0.336  0.298  1.0
  Se  Se31  1  0.309  0.058  0.613  1.0
  Se  Se32  1  0.191  0.058  0.113  1.0
  Se  Se33  1  0.687  0.114  0.190  1.0
  Se  Se34  1  0.998  0.166  0.423  1.0
  Se  Se35  1  0.002  0.834  0.577  1.0
  Se  Se36  1  0.999  0.694  0.941  1.0
  Se  Se37  1  0.691  0.942  0.387  1.0
  Se  Se38  1  0.001  0.306  0.059  1.0
  Se  Se39  1  0.771  0.406  0.378  1.0
[/CIF]
.