The compound described by K3PSe16 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a q6 geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. In the second K site, K(2) is bonded in a 14-coordinate geometry to two P(1,1); two Se(3,3); two Se(4,4); two Se(5,5); two Se(7,7); and four Se(8,8) atoms. In the third K site, K(3) is bonded in a 14-coordinate geometry to two P(1,1); two Se(1,1); two Se(2,2); two Se(6,6); two Se(8,8); and four Se(7,7) atoms. In the fourth K site, K(1) is bonded in a q6 geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent K(2), two equivalent K(3), two equivalent Se(7), and two equivalent Se(8) atoms to form PK4Se4 tetrahedra that share corners with four equivalent P(1)K4Se4 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra; and corners with four Se(6,6)K2Se2 tetrahedra. In the second P site, P(1) is bonded to two equivalent K(2), two equivalent K(3), two equivalent Se(7), and two equivalent Se(8) atoms to form PK4Se4 tetrahedra that share corners with four equivalent P(1)K4Se4 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra; and corners with four Se(6,6)K2Se2 tetrahedra. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded to one K(1), one K(3), one Se(4), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(1,1)K2Se2 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with three Se(6,6)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(4)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the second Se site, Se(2) is bonded to one K(1), one K(3), one Se(3), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(3)K2Se2 tetrahedra;  a cornercorner with one Se(5)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(2,2)K2Se2 tetrahedra; corners with two equivalent Se(4)K2Se2 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(6,6)K2Se2 tetrahedra;  an edgeedge with one Se(3)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the third Se site, Se(3) is bonded to one K(1), one K(2), one Se(2), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(3,3)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(5,5)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the fourth Se site, Se(4) is bonded to one K(1), one K(2), one Se(1), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(1)K2Se2 tetrahedra;  a cornercorner with one Se(6)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(2)K2Se2 tetrahedra; corners with two Se(4,4)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the fifth Se site, Se(5) is bonded to one K(1), one K(2), one Se(2), and one Se(3) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(5,5)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(3)K2Se2 tetrahedra. In the sixth Se site, Se(6) is bonded to one K(1), one K(3), one Se(1), and one Se(4) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with two Se(6,6)K2Se2 tetrahedra; corners with three Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(4)K2Se2 tetrahedra. In the seventh Se site, Se(6) is bonded to one K(1), one K(3), one Se(1), and one Se(4) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with two Se(6,6)K2Se2 tetrahedra; corners with three Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(4)K2Se2 tetrahedra. In the eighth Se site, Se(2) is bonded to one K(1), one K(3), one Se(3), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(3)K2Se2 tetrahedra;  a cornercorner with one Se(5)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(2,2)K2Se2 tetrahedra; corners with two equivalent Se(4)K2Se2 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(6,6)K2Se2 tetrahedra;  an edgeedge with one Se(3)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the ninth Se site, Se(1) is bonded to one K(1), one K(3), one Se(4), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(1,1)K2Se2 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with three Se(6,6)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(4)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the tenth Se site, Se(3) is bonded to one K(1), one K(2), one Se(2), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(3,3)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(5,5)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the eleventh Se site, Se(4) is bonded to one K(1), one K(2), one Se(1), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(1)K2Se2 tetrahedra;  a cornercorner with one Se(6)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(2)K2Se2 tetrahedra; corners with two Se(4,4)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the twelfth Se site, Se(5) is bonded to one K(1), one K(2), one Se(2), and one Se(3) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(5,5)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(3)K2Se2 tetrahedra. In the thirteenth Se site, Se(7) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one P(1) atom. In the fourteenth Se site, Se(8) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one P(1) atom. In the fifteenth Se site, Se(7) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one P(1) atom. In the sixteenth Se site, Se(8) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K3PSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.767
_cell_length_b   11.767
_cell_length_c   11.768
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1152.200
_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  0.250  0.250  0.251  1.0
  K  K1  1  0.625  0.625  0.125  1.0
  K  K2  1  0.125  0.625  0.625  1.0
  K  K3  1  0.625  0.125  0.625  1.0
  K  K4  1  0.625  0.625  0.625  1.0
  K  K5  1  1.000  0.000  1.000  1.0
  P  P6  1  0.500  0.500  0.500  1.0
  P  P7  1  0.750  0.750  0.750  1.0
  Se  Se8  1  0.572  0.157  0.319  1.0
  Se  Se9  1  0.319  0.157  0.953  1.0
  Se  Se10  1  0.157  0.571  0.953  1.0
  Se  Se11  1  0.157  0.319  0.572  1.0
  Se  Se12  1  0.953  0.319  0.157  1.0
  Se  Se13  1  0.319  0.571  0.157  1.0
  Se  Se14  1  0.953  0.157  0.571  1.0
  Se  Se15  1  0.157  0.953  0.319  1.0
  Se  Se16  1  0.678  0.931  0.297  1.0
  Se  Se17  1  0.297  0.678  0.932  1.0
  Se  Se18  1  0.931  0.297  0.678  1.0
  Se  Se19  1  0.678  0.094  0.931  1.0
  Se  Se20  1  0.571  0.953  0.157  1.0
  Se  Se21  1  0.931  0.094  0.297  1.0
  Se  Se22  1  0.094  0.678  0.297  1.0
  Se  Se23  1  0.094  0.931  0.678  1.0
  Se  Se24  1  0.297  0.931  0.094  1.0
  Se  Se25  1  0.931  0.678  0.094  1.0
  Se  Se26  1  0.297  0.094  0.678  1.0
  Se  Se27  1  0.094  0.297  0.931  1.0
  Se  Se28  1  0.424  0.423  0.729  1.0
  Se  Se29  1  0.730  0.424  0.423  1.0
  Se  Se30  1  0.423  0.730  0.424  1.0
  Se  Se31  1  0.424  0.423  0.423  1.0
  Se  Se32  1  0.827  0.827  0.520  1.0
  Se  Se33  1  0.520  0.827  0.827  1.0
  Se  Se34  1  0.827  0.520  0.827  1.0
  Se  Se35  1  0.827  0.827  0.827  1.0
  Se  Se36  1  0.319  0.953  0.572  1.0
  Se  Se37  1  0.953  0.571  0.319  1.0
  Se  Se38  1  0.572  0.319  0.953  1.0
  Se  Se39  1  0.678  0.297  0.094  1.0
[/CIF]
.
The compound described by K3PSe16 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a q6 geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. In the second K site, K(2) is bonded in a 14-coordinate geometry to two P(1,1); two Se(3,3); two Se(4,4); two Se(5,5); two Se(7,7); and four Se(8,8) atoms. In the third K site, K(3) is bonded in a 14-coordinate geometry to two P(1,1); two Se(1,1); two Se(2,2); two Se(6,6); two Se(8,8); and four Se(7,7) atoms. In the fourth K site, K(1) is bonded in a q6 geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent K(2), two equivalent K(3), two equivalent Se(7), and two equivalent Se(8) atoms to form PK4Se4 tetrahedra that share corners with four equivalent P(1)K4Se4 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra; and corners with four Se(6,6)K2Se2 tetrahedra. In the second P site, P(1) is bonded to two equivalent K(2), two equivalent K(3), two equivalent Se(7), and two equivalent Se(8) atoms to form PK4Se4 tetrahedra that share corners with four equivalent P(1)K4Se4 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra; and corners with four Se(6,6)K2Se2 tetrahedra. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded to one K(1), one K(3), one Se(4), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(1,1)K2Se2 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with three Se(6,6)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(4)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the second Se site, Se(2) is bonded to one K(1), one K(3), one Se(3), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(3)K2Se2 tetrahedra;  a cornercorner with one Se(5)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(2,2)K2Se2 tetrahedra; corners with two equivalent Se(4)K2Se2 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(6,6)K2Se2 tetrahedra;  an edgeedge with one Se(3)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the third Se site, Se(3) is bonded to one K(1), one K(2), one Se(2), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(3,3)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(5,5)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the fourth Se site, Se(4) is bonded to one K(1), one K(2), one Se(1), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(1)K2Se2 tetrahedra;  a cornercorner with one Se(6)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(2)K2Se2 tetrahedra; corners with two Se(4,4)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the fifth Se site, Se(5) is bonded to one K(1), one K(2), one Se(2), and one Se(3) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(5,5)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(3)K2Se2 tetrahedra. In the sixth Se site, Se(6) is bonded to one K(1), one K(3), one Se(1), and one Se(4) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with two Se(6,6)K2Se2 tetrahedra; corners with three Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(4)K2Se2 tetrahedra. In the seventh Se site, Se(6) is bonded to one K(1), one K(3), one Se(1), and one Se(4) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with two Se(6,6)K2Se2 tetrahedra; corners with three Se(1,1)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(4)K2Se2 tetrahedra. In the eighth Se site, Se(2) is bonded to one K(1), one K(3), one Se(3), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(3)K2Se2 tetrahedra;  a cornercorner with one Se(5)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(2,2)K2Se2 tetrahedra; corners with two equivalent Se(4)K2Se2 tetrahedra; corners with four Se(1,1)K2Se2 tetrahedra; corners with four Se(6,6)K2Se2 tetrahedra;  an edgeedge with one Se(3)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the ninth Se site, Se(1) is bonded to one K(1), one K(3), one Se(4), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(4)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two Se(1,1)K2Se2 tetrahedra; corners with two equivalent Se(3)K2Se2 tetrahedra; corners with two equivalent Se(5)K2Se2 tetrahedra; corners with three Se(6,6)K2Se2 tetrahedra; corners with four Se(2,2)K2Se2 tetrahedra;  an edgeedge with one Se(4)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the tenth Se site, Se(3) is bonded to one K(1), one K(2), one Se(2), and one Se(5) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(3,3)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(5,5)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(5)K2Se2 tetrahedra. In the eleventh Se site, Se(4) is bonded to one K(1), one K(2), one Se(1), and one Se(6) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(1)K2Se2 tetrahedra;  a cornercorner with one Se(6)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(2)K2Se2 tetrahedra; corners with two Se(4,4)K2Se2 tetrahedra; corners with four Se(3,3)K2Se2 tetrahedra; corners with four Se(5,5)K2Se2 tetrahedra;  an edgeedge with one Se(1)K2Se2 tetrahedra; and  an edgeedge with one Se(6)K2Se2 tetrahedra. In the twelfth Se site, Se(5) is bonded to one K(1), one K(2), one Se(2), and one Se(3) atom to form distorted SeK2Se2 tetrahedra that share  a cornercorner with one Se(2)K2Se2 tetrahedra; corners with two P(1,1)K4Se4 tetrahedra; corners with two equivalent Se(1)K2Se2 tetrahedra; corners with two Se(5,5)K2Se2 tetrahedra; corners with two equivalent Se(6)K2Se2 tetrahedra; corners with three Se(3,3)K2Se2 tetrahedra; corners with four Se(4,4)K2Se2 tetrahedra;  an edgeedge with one Se(2)K2Se2 tetrahedra; and  an edgeedge with one Se(3)K2Se2 tetrahedra. In the thirteenth Se site, Se(7) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one P(1) atom. In the fourteenth Se site, Se(8) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one P(1) atom. In the fifteenth Se site, Se(7) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(3), and one P(1) atom. In the sixteenth Se site, Se(8) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one P(1) atom. is represented by the CIF file [CIF]
data_K3PSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.767
_cell_length_b   11.767
_cell_length_c   11.768
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   1152.200
_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  0.250  0.250  0.251  1.0
  K  K1  1  0.625  0.625  0.125  1.0
  K  K2  1  0.125  0.625  0.625  1.0
  K  K3  1  0.625  0.125  0.625  1.0
  K  K4  1  0.625  0.625  0.625  1.0
  K  K5  1  1.000  0.000  1.000  1.0
  P  P6  1  0.500  0.500  0.500  1.0
  P  P7  1  0.750  0.750  0.750  1.0
  Se  Se8  1  0.572  0.157  0.319  1.0
  Se  Se9  1  0.319  0.157  0.953  1.0
  Se  Se10  1  0.157  0.571  0.953  1.0
  Se  Se11  1  0.157  0.319  0.572  1.0
  Se  Se12  1  0.953  0.319  0.157  1.0
  Se  Se13  1  0.319  0.571  0.157  1.0
  Se  Se14  1  0.953  0.157  0.571  1.0
  Se  Se15  1  0.157  0.953  0.319  1.0
  Se  Se16  1  0.678  0.931  0.297  1.0
  Se  Se17  1  0.297  0.678  0.932  1.0
  Se  Se18  1  0.931  0.297  0.678  1.0
  Se  Se19  1  0.678  0.094  0.931  1.0
  Se  Se20  1  0.571  0.953  0.157  1.0
  Se  Se21  1  0.931  0.094  0.297  1.0
  Se  Se22  1  0.094  0.678  0.297  1.0
  Se  Se23  1  0.094  0.931  0.678  1.0
  Se  Se24  1  0.297  0.931  0.094  1.0
  Se  Se25  1  0.931  0.678  0.094  1.0
  Se  Se26  1  0.297  0.094  0.678  1.0
  Se  Se27  1  0.094  0.297  0.931  1.0
  Se  Se28  1  0.424  0.423  0.729  1.0
  Se  Se29  1  0.730  0.424  0.423  1.0
  Se  Se30  1  0.423  0.730  0.424  1.0
  Se  Se31  1  0.424  0.423  0.423  1.0
  Se  Se32  1  0.827  0.827  0.520  1.0
  Se  Se33  1  0.520  0.827  0.827  1.0
  Se  Se34  1  0.827  0.520  0.827  1.0
  Se  Se35  1  0.827  0.827  0.827  1.0
  Se  Se36  1  0.319  0.953  0.572  1.0
  Se  Se37  1  0.953  0.571  0.319  1.0
  Se  Se38  1  0.572  0.319  0.953  1.0
  Se  Se39  1  0.678  0.297  0.094  1.0
[/CIF]
.