The material structure described by K2In(PSe4)2 is Esseneite-like structured and crystallizes in the monoclinic Cc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Se(10), one Se(11), one Se(15), one Se(4), one Se(7), one Se(8), and two equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(14), one Se(15), one Se(2), one Se(3), one Se(8), and two equivalent Se(12) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one Se(11), one Se(12), one Se(15), one Se(2), one Se(3), one Se(5), one Se(6), and one Se(9) atom. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one Se(11), one Se(13), one Se(14), one Se(16), one Se(4), one Se(5), and two equivalent Se(10) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(5), one Se(6), one Se(7), one Se(8), and one Se(9) atom to form InSe6 octahedra that share  a cornercorner with one P(2)PSe3 tetrahedra,  a cornercorner with one P(4)PSe3 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, and  an edgeedge with one In(2)Se6 octahedra. In the second In site, In(2) is bonded to one Se(13), one Se(14), one Se(16), one Se(3), one Se(7), and one Se(9) atom to form InSe6 octahedra that share  a cornercorner with one P(2)PSe3 tetrahedra,  a cornercorner with one P(4)PSe3 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, and  an edgeedge with one In(1)Se6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Se(1), one Se(15), one Se(16), and one Se(4) atom to form PSe4 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra,  a cornercorner with one In(2)Se6 octahedra, and  a cornercorner with one Se(9)KIn2Se tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. In the second P site, P(2) is bonded to one P(4), one Se(10), one Se(13), and one Se(8) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra,  a cornercorner with one In(2)Se6 octahedra,  a cornercorner with one Se(14)K2InP trigonal pyramid, and  a cornercorner with one Se(5)K2InP trigonal pyramid. The corner-sharing octahedral tilt angles range from 80-83°. In the third P site, P(3) is bonded to one Se(11), one Se(2), one Se(3), and one Se(6) atom to form PSe4 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra,  a cornercorner with one In(2)Se6 octahedra, and  a cornercorner with one Se(7)KIn2Se trigonal pyramid. The corner-sharing octahedral tilt angles range from 75-78°. In the fourth P site, P(4) is bonded to one P(2), one Se(12), one Se(14), and one Se(5) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra and  a cornercorner with one In(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 81-82°. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one In(1), and one P(1) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one K(2), one K(3), one P(3), and one Se(7) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one K(2), one K(3), one In(2), and one P(3) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one K(1), one K(4), one P(1), and one Se(9) atom. In the fifth Se site, Se(5) is bonded to one K(3), one K(4), one In(1), and one P(4) atom to form distorted SeK2InP trigonal pyramids that share  a cornercorner with one P(2)PSe3 tetrahedra, corners with two equivalent Se(9)KIn2Se tetrahedra,  a cornercorner with one Se(7)KIn2Se trigonal pyramid, and  an edgeedge with one Se(14)K2InP trigonal pyramid. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one K(3), one In(1), and one P(3) atom. In the seventh Se site, Se(7) is bonded to one K(1), one In(1), one In(2), and one Se(2) atom to form distorted SeKIn2Se trigonal pyramids that share  a cornercorner with one P(3)Se4 tetrahedra,  a cornercorner with one Se(14)K2InP trigonal pyramid,  a cornercorner with one Se(5)K2InP trigonal pyramid, and  an edgeedge with one Se(9)KIn2Se tetrahedra. In the eighth Se site, Se(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one In(1), and one P(2) atom. In the ninth Se site, Se(9) is bonded to one K(3), one In(1), one In(2), and one Se(4) atom to form distorted SeKIn2Se tetrahedra that share  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one Se(14)K2InP trigonal pyramid, corners with two equivalent Se(5)K2InP trigonal pyramids, and  an edgeedge with one Se(7)KIn2Se trigonal pyramid. In the tenth Se site, Se(10) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(4), and one P(2) atom. In the eleventh Se site, Se(11) is bonded in a 3-coordinate geometry to one K(1), one K(3), one K(4), and one P(3) atom. In the twelfth Se site, Se(12) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one P(4) atom. In the thirteenth Se site, Se(13) is bonded in a 3-coordinate geometry to one K(4), one In(2), and one P(2) atom. In the fourteenth Se site, Se(14) is bonded to one K(2), one K(4), one In(2), and one P(4) atom to form distorted SeK2InP trigonal pyramids that share  a cornercorner with one P(2)PSe3 tetrahedra,  a cornercorner with one Se(9)KIn2Se tetrahedra,  a cornercorner with one Se(7)KIn2Se trigonal pyramid, and  an edgeedge with one Se(5)K2InP trigonal pyramid. In the fifteenth Se site, Se(15) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the sixteenth Se site, Se(16) is bonded in a 3-coordinate geometry to one K(4), one In(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K2In(PSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.925
_cell_length_b   12.925
_cell_length_c   13.038
_cell_angle_alpha   81.730
_cell_angle_beta   81.730
_cell_angle_gamma   127.692
_symmetry_Int_Tables_number   1
_cell_volume   1629.043
_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  0.128  0.246  0.072  1.0
  K  K1  1  0.958  0.358  0.347  1.0
  K  K2  1  0.394  0.793  0.322  1.0
  K  K3  1  0.358  0.958  0.847  1.0
  K  K4  1  0.246  0.128  0.572  1.0
  K  K5  1  0.742  0.851  0.017  1.0
  K  K6  1  0.851  0.742  0.517  1.0
  K  K7  1  0.793  0.394  0.822  1.0
  In  In8  1  0.377  0.134  0.190  1.0
  In  In9  1  0.500  0.735  0.684  1.0
  In  In10  1  0.134  0.377  0.690  1.0
  In  In11  1  0.735  0.500  0.184  1.0
  P  P12  1  0.403  0.455  0.205  1.0
  P  P13  1  0.037  0.872  0.134  1.0
  P  P14  1  0.707  0.175  0.170  1.0
  P  P15  1  0.752  0.078  0.742  1.0
  P  P16  1  0.175  0.707  0.670  1.0
  P  P17  1  0.455  0.403  0.705  1.0
  P  P18  1  0.872  0.037  0.634  1.0
  P  P19  1  0.078  0.752  0.242  1.0
  Se  Se20  1  0.256  0.229  0.287  1.0
  Se  Se21  1  0.132  0.621  0.851  1.0
  Se  Se22  1  0.862  0.400  0.096  1.0
  Se  Se23  1  0.492  0.479  0.522  1.0
  Se  Se24  1  0.880  0.182  0.850  1.0
  Se  Se25  1  0.070  0.533  0.599  1.0
  Se  Se26  1  0.235  0.521  0.843  1.0
  Se  Se27  1  0.244  0.063  0.032  1.0
  Se  Se28  1  0.586  0.395  0.032  1.0
  Se  Se29  1  0.229  0.256  0.787  1.0
  Se  Se30  1  0.182  0.880  0.350  1.0
  Se  Se31  1  0.904  0.917  0.734  1.0
  Se  Se32  1  0.789  0.069  0.187  1.0
  Se  Se33  1  0.479  0.492  0.022  1.0
  Se  Se34  1  0.192  0.713  0.143  1.0
  Se  Se35  1  0.941  0.747  0.022  1.0
  Se  Se36  1  0.868  0.565  0.346  1.0
  Se  Se37  1  0.539  0.299  0.698  1.0
  Se  Se38  1  0.585  0.592  0.756  1.0
  Se  Se39  1  0.565  0.868  0.846  1.0
  Se  Se40  1  0.069  0.789  0.687  1.0
  Se  Se41  1  0.621  0.132  0.351  1.0
  Se  Se42  1  0.299  0.539  0.198  1.0
  Se  Se43  1  0.917  0.904  0.234  1.0
  Se  Se44  1  0.747  0.941  0.522  1.0
  Se  Se45  1  0.063  0.244  0.532  1.0
  Se  Se46  1  0.395  0.586  0.532  1.0
  Se  Se47  1  0.592  0.585  0.256  1.0
  Se  Se48  1  0.521  0.235  0.343  1.0
  Se  Se49  1  0.713  0.192  0.643  1.0
  Se  Se50  1  0.533  0.070  0.099  1.0
  Se  Se51  1  0.400  0.862  0.596  1.0
[/CIF]
.
The material structure described by K2In(PSe4)2 is Esseneite-like structured and crystallizes in the monoclinic Cc space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Se(10), one Se(11), one Se(15), one Se(4), one Se(7), one Se(8), and two equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Se(14), one Se(15), one Se(2), one Se(3), one Se(8), and two equivalent Se(12) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one Se(11), one Se(12), one Se(15), one Se(2), one Se(3), one Se(5), one Se(6), and one Se(9) atom. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one Se(11), one Se(13), one Se(14), one Se(16), one Se(4), one Se(5), and two equivalent Se(10) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(1), one Se(5), one Se(6), one Se(7), one Se(8), and one Se(9) atom to form InSe6 octahedra that share  a cornercorner with one P(2)PSe3 tetrahedra,  a cornercorner with one P(4)PSe3 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, and  an edgeedge with one In(2)Se6 octahedra. In the second In site, In(2) is bonded to one Se(13), one Se(14), one Se(16), one Se(3), one Se(7), and one Se(9) atom to form InSe6 octahedra that share  a cornercorner with one P(2)PSe3 tetrahedra,  a cornercorner with one P(4)PSe3 tetrahedra,  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one P(3)Se4 tetrahedra, and  an edgeedge with one In(1)Se6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one Se(1), one Se(15), one Se(16), and one Se(4) atom to form PSe4 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra,  a cornercorner with one In(2)Se6 octahedra, and  a cornercorner with one Se(9)KIn2Se tetrahedra. The corner-sharing octahedral tilt angles range from 76-78°. In the second P site, P(2) is bonded to one P(4), one Se(10), one Se(13), and one Se(8) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra,  a cornercorner with one In(2)Se6 octahedra,  a cornercorner with one Se(14)K2InP trigonal pyramid, and  a cornercorner with one Se(5)K2InP trigonal pyramid. The corner-sharing octahedral tilt angles range from 80-83°. In the third P site, P(3) is bonded to one Se(11), one Se(2), one Se(3), and one Se(6) atom to form PSe4 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra,  a cornercorner with one In(2)Se6 octahedra, and  a cornercorner with one Se(7)KIn2Se trigonal pyramid. The corner-sharing octahedral tilt angles range from 75-78°. In the fourth P site, P(4) is bonded to one P(2), one Se(12), one Se(14), and one Se(5) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one In(1)Se6 octahedra and  a cornercorner with one In(2)Se6 octahedra. The corner-sharing octahedral tilt angles range from 81-82°. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one In(1), and one P(1) atom. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to one K(2), one K(3), one P(3), and one Se(7) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one K(2), one K(3), one In(2), and one P(3) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one K(1), one K(4), one P(1), and one Se(9) atom. In the fifth Se site, Se(5) is bonded to one K(3), one K(4), one In(1), and one P(4) atom to form distorted SeK2InP trigonal pyramids that share  a cornercorner with one P(2)PSe3 tetrahedra, corners with two equivalent Se(9)KIn2Se tetrahedra,  a cornercorner with one Se(7)KIn2Se trigonal pyramid, and  an edgeedge with one Se(14)K2InP trigonal pyramid. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one K(3), one In(1), and one P(3) atom. In the seventh Se site, Se(7) is bonded to one K(1), one In(1), one In(2), and one Se(2) atom to form distorted SeKIn2Se trigonal pyramids that share  a cornercorner with one P(3)Se4 tetrahedra,  a cornercorner with one Se(14)K2InP trigonal pyramid,  a cornercorner with one Se(5)K2InP trigonal pyramid, and  an edgeedge with one Se(9)KIn2Se tetrahedra. In the eighth Se site, Se(8) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one In(1), and one P(2) atom. In the ninth Se site, Se(9) is bonded to one K(3), one In(1), one In(2), and one Se(4) atom to form distorted SeKIn2Se tetrahedra that share  a cornercorner with one P(1)Se4 tetrahedra,  a cornercorner with one Se(14)K2InP trigonal pyramid, corners with two equivalent Se(5)K2InP trigonal pyramids, and  an edgeedge with one Se(7)KIn2Se trigonal pyramid. In the tenth Se site, Se(10) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(4), and one P(2) atom. In the eleventh Se site, Se(11) is bonded in a 3-coordinate geometry to one K(1), one K(3), one K(4), and one P(3) atom. In the twelfth Se site, Se(12) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one P(4) atom. In the thirteenth Se site, Se(13) is bonded in a 3-coordinate geometry to one K(4), one In(2), and one P(2) atom. In the fourteenth Se site, Se(14) is bonded to one K(2), one K(4), one In(2), and one P(4) atom to form distorted SeK2InP trigonal pyramids that share  a cornercorner with one P(2)PSe3 tetrahedra,  a cornercorner with one Se(9)KIn2Se tetrahedra,  a cornercorner with one Se(7)KIn2Se trigonal pyramid, and  an edgeedge with one Se(5)K2InP trigonal pyramid. In the fifteenth Se site, Se(15) is bonded in a 4-coordinate geometry to one K(1), one K(2), one K(3), and one P(1) atom. In the sixteenth Se site, Se(16) is bonded in a 3-coordinate geometry to one K(4), one In(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K2In(PSe4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.925
_cell_length_b   12.925
_cell_length_c   13.038
_cell_angle_alpha   81.730
_cell_angle_beta   81.730
_cell_angle_gamma   127.692
_symmetry_Int_Tables_number   1
_cell_volume   1629.043
_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  0.128  0.246  0.072  1.0
  K  K1  1  0.958  0.358  0.347  1.0
  K  K2  1  0.394  0.793  0.322  1.0
  K  K3  1  0.358  0.958  0.847  1.0
  K  K4  1  0.246  0.128  0.572  1.0
  K  K5  1  0.742  0.851  0.017  1.0
  K  K6  1  0.851  0.742  0.517  1.0
  K  K7  1  0.793  0.394  0.822  1.0
  In  In8  1  0.377  0.134  0.190  1.0
  In  In9  1  0.500  0.735  0.684  1.0
  In  In10  1  0.134  0.377  0.690  1.0
  In  In11  1  0.735  0.500  0.184  1.0
  P  P12  1  0.403  0.455  0.205  1.0
  P  P13  1  0.037  0.872  0.134  1.0
  P  P14  1  0.707  0.175  0.170  1.0
  P  P15  1  0.752  0.078  0.742  1.0
  P  P16  1  0.175  0.707  0.670  1.0
  P  P17  1  0.455  0.403  0.705  1.0
  P  P18  1  0.872  0.037  0.634  1.0
  P  P19  1  0.078  0.752  0.242  1.0
  Se  Se20  1  0.256  0.229  0.287  1.0
  Se  Se21  1  0.132  0.621  0.851  1.0
  Se  Se22  1  0.862  0.400  0.096  1.0
  Se  Se23  1  0.492  0.479  0.522  1.0
  Se  Se24  1  0.880  0.182  0.850  1.0
  Se  Se25  1  0.070  0.533  0.599  1.0
  Se  Se26  1  0.235  0.521  0.843  1.0
  Se  Se27  1  0.244  0.063  0.032  1.0
  Se  Se28  1  0.586  0.395  0.032  1.0
  Se  Se29  1  0.229  0.256  0.787  1.0
  Se  Se30  1  0.182  0.880  0.350  1.0
  Se  Se31  1  0.904  0.917  0.734  1.0
  Se  Se32  1  0.789  0.069  0.187  1.0
  Se  Se33  1  0.479  0.492  0.022  1.0
  Se  Se34  1  0.192  0.713  0.143  1.0
  Se  Se35  1  0.941  0.747  0.022  1.0
  Se  Se36  1  0.868  0.565  0.346  1.0
  Se  Se37  1  0.539  0.299  0.698  1.0
  Se  Se38  1  0.585  0.592  0.756  1.0
  Se  Se39  1  0.565  0.868  0.846  1.0
  Se  Se40  1  0.069  0.789  0.687  1.0
  Se  Se41  1  0.621  0.132  0.351  1.0
  Se  Se42  1  0.299  0.539  0.198  1.0
  Se  Se43  1  0.917  0.904  0.234  1.0
  Se  Se44  1  0.747  0.941  0.522  1.0
  Se  Se45  1  0.063  0.244  0.532  1.0
  Se  Se46  1  0.395  0.586  0.532  1.0
  Se  Se47  1  0.592  0.585  0.256  1.0
  Se  Se48  1  0.521  0.235  0.343  1.0
  Se  Se49  1  0.713  0.192  0.643  1.0
  Se  Se50  1  0.533  0.070  0.099  1.0
  Se  Se51  1  0.400  0.862  0.596  1.0
[/CIF]
.