The material structure described by KPuP2S7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded to one S(4), one S(7), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted KS8 hexagonal bipyramids that share  a cornercorner with one P(1)S4 tetrahedra, corners with four equivalent P(2)S4 tetrahedra, edges with three equivalent K(1)S8 hexagonal bipyramids, and edges with two equivalent P(1)S4 tetrahedra. Pu(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(4), one S(6), two equivalent S(1), and two equivalent S(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one S(2), one S(3), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one K(1)S8 hexagonal bipyramid,  a cornercorner with one P(2)S4 tetrahedra, and edges with two equivalent K(1)S8 hexagonal bipyramids. In the second P site, P(2) is bonded to one S(4), one S(5), one S(6), and one S(7) atom to form PS4 tetrahedra that share corners with four equivalent K(1)S8 hexagonal bipyramids and  a cornercorner with one P(1)S4 tetrahedra. There are seven inequivalent S sites. In the first S site, S(5) is bonded in a distorted T-shaped geometry to two equivalent Pu(1) and one P(2) atom. In the second S site, S(6) is bonded to two equivalent K(1), one Pu(1), and one P(2) atom to form distorted corner-sharing SK2PuP trigonal pyramids. In the third S site, S(7) is bonded in a 3-coordinate geometry to one K(1), one P(1), and one P(2) atom. In the fourth S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Pu(1) and one P(1) atom. In the fifth S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Pu(1), and one P(1) atom. In the sixth S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Pu(1), and one P(1) atom. In the seventh S site, S(4) is bonded in a 3-coordinate geometry to one K(1), one Pu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KPuP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.447
_cell_length_b   9.078
_cell_length_c   9.790
_cell_angle_alpha   89.860
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1106.180
_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  0.307  0.132  0.395  1.0
  K  K1  1  0.807  0.368  0.605  1.0
  K  K2  1  0.693  0.868  0.605  1.0
  K  K3  1  0.193  0.632  0.395  1.0
  Pu  Pu4  1  0.360  0.893  0.859  1.0
  Pu  Pu5  1  0.860  0.607  0.141  1.0
  Pu  Pu6  1  0.640  0.107  0.141  1.0
  Pu  Pu7  1  0.140  0.393  0.859  1.0
  P  P8  1  0.463  0.804  0.185  1.0
  P  P9  1  0.963  0.696  0.815  1.0
  P  P10  1  0.537  0.196  0.815  1.0
  P  P11  1  0.037  0.304  0.185  1.0
  P  P12  1  0.104  0.023  0.728  1.0
  P  P13  1  0.604  0.477  0.272  1.0
  P  P14  1  0.896  0.977  0.272  1.0
  P  P15  1  0.396  0.523  0.728  1.0
  S  S16  1  0.556  0.827  0.015  1.0
  S  S17  1  0.056  0.673  0.985  1.0
  S  S18  1  0.444  0.173  0.985  1.0
  S  S19  1  0.944  0.327  0.015  1.0
  S  S20  1  0.475  0.065  0.667  1.0
  S  S21  1  0.975  0.435  0.333  1.0
  S  S22  1  0.525  0.935  0.333  1.0
  S  S23  1  0.025  0.565  0.667  1.0
  S  S24  1  0.306  0.854  0.146  1.0
  S  S25  1  0.806  0.646  0.854  1.0
  S  S26  1  0.694  0.146  0.854  1.0
  S  S27  1  0.194  0.354  0.146  1.0
  S  S28  1  0.443  0.713  0.637  1.0
  S  S29  1  0.943  0.787  0.363  1.0
  S  S30  1  0.557  0.287  0.363  1.0
  S  S31  1  0.057  0.213  0.637  1.0
  S  S32  1  0.173  0.077  0.910  1.0
  S  S33  1  0.673  0.423  0.090  1.0
  S  S34  1  0.827  0.923  0.090  1.0
  S  S35  1  0.327  0.577  0.910  1.0
  S  S36  1  0.212  0.890  0.633  1.0
  S  S37  1  0.712  0.610  0.367  1.0
  S  S38  1  0.788  0.110  0.367  1.0
  S  S39  1  0.288  0.390  0.633  1.0
  S  S40  1  0.949  0.922  0.752  1.0
  S  S41  1  0.449  0.578  0.248  1.0
  S  S42  1  0.051  0.078  0.248  1.0
  S  S43  1  0.551  0.422  0.752  1.0
[/CIF]
.
The material structure described by KPuP2S7 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded to one S(4), one S(7), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms to form distorted KS8 hexagonal bipyramids that share  a cornercorner with one P(1)S4 tetrahedra, corners with four equivalent P(2)S4 tetrahedra, edges with three equivalent K(1)S8 hexagonal bipyramids, and edges with two equivalent P(1)S4 tetrahedra. Pu(1) is bonded in a 8-coordinate geometry to one S(2), one S(3), one S(4), one S(6), two equivalent S(1), and two equivalent S(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one S(2), one S(3), and one S(7) atom to form PS4 tetrahedra that share  a cornercorner with one K(1)S8 hexagonal bipyramid,  a cornercorner with one P(2)S4 tetrahedra, and edges with two equivalent K(1)S8 hexagonal bipyramids. In the second P site, P(2) is bonded to one S(4), one S(5), one S(6), and one S(7) atom to form PS4 tetrahedra that share corners with four equivalent K(1)S8 hexagonal bipyramids and  a cornercorner with one P(1)S4 tetrahedra. There are seven inequivalent S sites. In the first S site, S(5) is bonded in a distorted T-shaped geometry to two equivalent Pu(1) and one P(2) atom. In the second S site, S(6) is bonded to two equivalent K(1), one Pu(1), and one P(2) atom to form distorted corner-sharing SK2PuP trigonal pyramids. In the third S site, S(7) is bonded in a 3-coordinate geometry to one K(1), one P(1), and one P(2) atom. In the fourth S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Pu(1) and one P(1) atom. In the fifth S site, S(2) is bonded in a 4-coordinate geometry to two equivalent K(1), one Pu(1), and one P(1) atom. In the sixth S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(1), one Pu(1), and one P(1) atom. In the seventh S site, S(4) is bonded in a 3-coordinate geometry to one K(1), one Pu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_KPuP2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.447
_cell_length_b   9.078
_cell_length_c   9.790
_cell_angle_alpha   89.860
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1106.180
_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  0.307  0.132  0.395  1.0
  K  K1  1  0.807  0.368  0.605  1.0
  K  K2  1  0.693  0.868  0.605  1.0
  K  K3  1  0.193  0.632  0.395  1.0
  Pu  Pu4  1  0.360  0.893  0.859  1.0
  Pu  Pu5  1  0.860  0.607  0.141  1.0
  Pu  Pu6  1  0.640  0.107  0.141  1.0
  Pu  Pu7  1  0.140  0.393  0.859  1.0
  P  P8  1  0.463  0.804  0.185  1.0
  P  P9  1  0.963  0.696  0.815  1.0
  P  P10  1  0.537  0.196  0.815  1.0
  P  P11  1  0.037  0.304  0.185  1.0
  P  P12  1  0.104  0.023  0.728  1.0
  P  P13  1  0.604  0.477  0.272  1.0
  P  P14  1  0.896  0.977  0.272  1.0
  P  P15  1  0.396  0.523  0.728  1.0
  S  S16  1  0.556  0.827  0.015  1.0
  S  S17  1  0.056  0.673  0.985  1.0
  S  S18  1  0.444  0.173  0.985  1.0
  S  S19  1  0.944  0.327  0.015  1.0
  S  S20  1  0.475  0.065  0.667  1.0
  S  S21  1  0.975  0.435  0.333  1.0
  S  S22  1  0.525  0.935  0.333  1.0
  S  S23  1  0.025  0.565  0.667  1.0
  S  S24  1  0.306  0.854  0.146  1.0
  S  S25  1  0.806  0.646  0.854  1.0
  S  S26  1  0.694  0.146  0.854  1.0
  S  S27  1  0.194  0.354  0.146  1.0
  S  S28  1  0.443  0.713  0.637  1.0
  S  S29  1  0.943  0.787  0.363  1.0
  S  S30  1  0.557  0.287  0.363  1.0
  S  S31  1  0.057  0.213  0.637  1.0
  S  S32  1  0.173  0.077  0.910  1.0
  S  S33  1  0.673  0.423  0.090  1.0
  S  S34  1  0.827  0.923  0.090  1.0
  S  S35  1  0.327  0.577  0.910  1.0
  S  S36  1  0.212  0.890  0.633  1.0
  S  S37  1  0.712  0.610  0.367  1.0
  S  S38  1  0.788  0.110  0.367  1.0
  S  S39  1  0.288  0.390  0.633  1.0
  S  S40  1  0.949  0.922  0.752  1.0
  S  S41  1  0.449  0.578  0.248  1.0
  S  S42  1  0.051  0.078  0.248  1.0
  S  S43  1  0.551  0.422  0.752  1.0
[/CIF]
.