The structure described by Ag2PSe3 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Se(2), one Se(6), and two equivalent Se(5) atoms to form distorted AgSe4 trigonal pyramids that share corners with two equivalent P(1)PSe3 tetrahedra, corners with two equivalent P(2)PSe3 tetrahedra, and corners with two equivalent Ag(1)Se4 trigonal pyramids. In the second Ag site, Ag(2) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(6), and two equivalent Se(4) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to one Se(2), one Se(3), one Se(5), and one Se(6) atom. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one Se(1), one Se(2), one Se(3), and two equivalent Se(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one Se(1), one Se(2), and one Se(6) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one Se(5)Ag3P trigonal pyramid and corners with two equivalent Ag(1)Se4 trigonal pyramids. In the second P site, P(2) is bonded to one P(1), one Se(3), one Se(4), and one Se(5) atom to form distorted PPSe3 tetrahedra that share corners with two equivalent Ag(1)Se4 trigonal pyramids. There are six inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to one Ag(2), one Ag(3), one Ag(4), and one P(2) atom. In the second Se site, Se(4) is bonded in a 5-coordinate geometry to two equivalent Ag(2), two equivalent Ag(4), and one P(2) atom. In the third Se site, Se(5) is bonded to one Ag(3), two equivalent Ag(1), and one P(2) atom to form distorted SeAg3P trigonal pyramids that share  a cornercorner with one P(1)PSe3 tetrahedra and corners with two equivalent Se(5)Ag3P trigonal pyramids. In the fourth Se site, Se(6) is bonded in a distorted see-saw-like geometry to one Ag(1), one Ag(2), one Ag(3), and one P(1) atom. In the fifth Se site, Se(1) is bonded in a 3-coordinate geometry to one Ag(2), one Ag(4), and one P(1) atom. In the sixth Se site, Se(2) is bonded in a 4-coordinate geometry to one Ag(1), one Ag(3), one Ag(4), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag2PSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   11.660
_cell_length_c   14.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1108.882
_cell_formula_units_Z   8
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
  Ag  Ag0  1  0.769  0.288  0.628  1.0
  Ag  Ag1  1  0.269  0.212  0.372  1.0
  Ag  Ag2  1  0.231  0.788  0.872  1.0
  Ag  Ag3  1  0.731  0.712  0.128  1.0
  Ag  Ag4  1  0.464  0.304  0.107  1.0
  Ag  Ag5  1  0.964  0.196  0.893  1.0
  Ag  Ag6  1  0.536  0.804  0.393  1.0
  Ag  Ag7  1  0.036  0.696  0.607  1.0
  Ag  Ag8  1  0.581  0.616  0.873  1.0
  Ag  Ag9  1  0.081  0.884  0.127  1.0
  Ag  Ag10  1  0.419  0.116  0.627  1.0
  Ag  Ag11  1  0.919  0.384  0.373  1.0
  Ag  Ag12  1  0.587  0.361  0.889  1.0
  Ag  Ag13  1  0.087  0.139  0.111  1.0
  Ag  Ag14  1  0.413  0.861  0.611  1.0
  Ag  Ag15  1  0.913  0.639  0.389  1.0
  P  P16  1  0.109  0.470  0.799  1.0
  P  P17  1  0.609  0.030  0.201  1.0
  P  P18  1  0.891  0.970  0.701  1.0
  P  P19  1  0.391  0.530  0.299  1.0
  P  P20  1  0.068  0.506  0.956  1.0
  P  P21  1  0.568  0.994  0.044  1.0
  P  P22  1  0.932  0.006  0.544  1.0
  P  P23  1  0.432  0.494  0.456  1.0
  Se  Se24  1  0.262  0.304  0.788  1.0
  Se  Se25  1  0.762  0.196  0.212  1.0
  Se  Se26  1  0.738  0.804  0.712  1.0
  Se  Se27  1  0.238  0.696  0.288  1.0
  Se  Se28  1  0.805  0.471  0.738  1.0
  Se  Se29  1  0.305  0.029  0.262  1.0
  Se  Se30  1  0.195  0.971  0.762  1.0
  Se  Se31  1  0.695  0.529  0.238  1.0
  Se  Se32  1  0.131  0.485  0.519  1.0
  Se  Se33  1  0.631  0.015  0.481  1.0
  Se  Se34  1  0.869  0.985  0.981  1.0
  Se  Se35  1  0.369  0.515  0.019  1.0
  Se  Se36  1  0.612  0.636  0.515  1.0
  Se  Se37  1  0.112  0.864  0.485  1.0
  Se  Se38  1  0.388  0.136  0.985  1.0
  Se  Se39  1  0.888  0.364  0.015  1.0
  Se  Se40  1  0.585  0.324  0.462  1.0
  Se  Se41  1  0.085  0.176  0.538  1.0
  Se  Se42  1  0.415  0.824  0.038  1.0
  Se  Se43  1  0.915  0.676  0.962  1.0
  Se  Se44  1  0.208  0.384  0.245  1.0
  Se  Se45  1  0.708  0.116  0.755  1.0
  Se  Se46  1  0.792  0.884  0.255  1.0
  Se  Se47  1  0.292  0.616  0.745  1.0
[/CIF]
.
The structure described by Ag2PSe3 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Se(2), one Se(6), and two equivalent Se(5) atoms to form distorted AgSe4 trigonal pyramids that share corners with two equivalent P(1)PSe3 tetrahedra, corners with two equivalent P(2)PSe3 tetrahedra, and corners with two equivalent Ag(1)Se4 trigonal pyramids. In the second Ag site, Ag(2) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(6), and two equivalent Se(4) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to one Se(2), one Se(3), one Se(5), and one Se(6) atom. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one Se(1), one Se(2), one Se(3), and two equivalent Se(4) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one Se(1), one Se(2), and one Se(6) atom to form distorted PPSe3 tetrahedra that share  a cornercorner with one Se(5)Ag3P trigonal pyramid and corners with two equivalent Ag(1)Se4 trigonal pyramids. In the second P site, P(2) is bonded to one P(1), one Se(3), one Se(4), and one Se(5) atom to form distorted PPSe3 tetrahedra that share corners with two equivalent Ag(1)Se4 trigonal pyramids. There are six inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to one Ag(2), one Ag(3), one Ag(4), and one P(2) atom. In the second Se site, Se(4) is bonded in a 5-coordinate geometry to two equivalent Ag(2), two equivalent Ag(4), and one P(2) atom. In the third Se site, Se(5) is bonded to one Ag(3), two equivalent Ag(1), and one P(2) atom to form distorted SeAg3P trigonal pyramids that share  a cornercorner with one P(1)PSe3 tetrahedra and corners with two equivalent Se(5)Ag3P trigonal pyramids. In the fourth Se site, Se(6) is bonded in a distorted see-saw-like geometry to one Ag(1), one Ag(2), one Ag(3), and one P(1) atom. In the fifth Se site, Se(1) is bonded in a 3-coordinate geometry to one Ag(2), one Ag(4), and one P(1) atom. In the sixth Se site, Se(2) is bonded in a 4-coordinate geometry to one Ag(1), one Ag(3), one Ag(4), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ag2PSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.579
_cell_length_b   11.660
_cell_length_c   14.455
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1108.882
_cell_formula_units_Z   8
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
  Ag  Ag0  1  0.769  0.288  0.628  1.0
  Ag  Ag1  1  0.269  0.212  0.372  1.0
  Ag  Ag2  1  0.231  0.788  0.872  1.0
  Ag  Ag3  1  0.731  0.712  0.128  1.0
  Ag  Ag4  1  0.464  0.304  0.107  1.0
  Ag  Ag5  1  0.964  0.196  0.893  1.0
  Ag  Ag6  1  0.536  0.804  0.393  1.0
  Ag  Ag7  1  0.036  0.696  0.607  1.0
  Ag  Ag8  1  0.581  0.616  0.873  1.0
  Ag  Ag9  1  0.081  0.884  0.127  1.0
  Ag  Ag10  1  0.419  0.116  0.627  1.0
  Ag  Ag11  1  0.919  0.384  0.373  1.0
  Ag  Ag12  1  0.587  0.361  0.889  1.0
  Ag  Ag13  1  0.087  0.139  0.111  1.0
  Ag  Ag14  1  0.413  0.861  0.611  1.0
  Ag  Ag15  1  0.913  0.639  0.389  1.0
  P  P16  1  0.109  0.470  0.799  1.0
  P  P17  1  0.609  0.030  0.201  1.0
  P  P18  1  0.891  0.970  0.701  1.0
  P  P19  1  0.391  0.530  0.299  1.0
  P  P20  1  0.068  0.506  0.956  1.0
  P  P21  1  0.568  0.994  0.044  1.0
  P  P22  1  0.932  0.006  0.544  1.0
  P  P23  1  0.432  0.494  0.456  1.0
  Se  Se24  1  0.262  0.304  0.788  1.0
  Se  Se25  1  0.762  0.196  0.212  1.0
  Se  Se26  1  0.738  0.804  0.712  1.0
  Se  Se27  1  0.238  0.696  0.288  1.0
  Se  Se28  1  0.805  0.471  0.738  1.0
  Se  Se29  1  0.305  0.029  0.262  1.0
  Se  Se30  1  0.195  0.971  0.762  1.0
  Se  Se31  1  0.695  0.529  0.238  1.0
  Se  Se32  1  0.131  0.485  0.519  1.0
  Se  Se33  1  0.631  0.015  0.481  1.0
  Se  Se34  1  0.869  0.985  0.981  1.0
  Se  Se35  1  0.369  0.515  0.019  1.0
  Se  Se36  1  0.612  0.636  0.515  1.0
  Se  Se37  1  0.112  0.864  0.485  1.0
  Se  Se38  1  0.388  0.136  0.985  1.0
  Se  Se39  1  0.888  0.364  0.015  1.0
  Se  Se40  1  0.585  0.324  0.462  1.0
  Se  Se41  1  0.085  0.176  0.538  1.0
  Se  Se42  1  0.415  0.824  0.038  1.0
  Se  Se43  1  0.915  0.676  0.962  1.0
  Se  Se44  1  0.208  0.384  0.245  1.0
  Se  Se45  1  0.708  0.116  0.755  1.0
  Se  Se46  1  0.792  0.884  0.255  1.0
  Se  Se47  1  0.292  0.616  0.745  1.0
[/CIF]
.