The material structure described by U5P3Se2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one P(1), one P(2), one P(3), one Se(2), and two equivalent Se(1) atoms to form UP3Se3 octahedra that share corners with two equivalent U(2)P4Se2 octahedra, corners with four equivalent U(1)P3Se3 octahedra, edges with three equivalent U(1)P3Se3 octahedra, edges with four equivalent U(3)P4Se2 octahedra, and edges with five equivalent U(2)P4Se2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second U site, U(2) is bonded to one P(1), one P(3), two equivalent P(2), and two equivalent Se(2) atoms to form UP4Se2 octahedra that share corners with two equivalent U(1)P3Se3 octahedra, corners with two equivalent U(2)P4Se2 octahedra, corners with two equivalent U(3)P4Se2 octahedra,  an edgeedge with one U(3)P4Se2 octahedra, edges with five equivalent U(1)P3Se3 octahedra, and edges with six equivalent U(2)P4Se2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third U site, U(3) is bonded to two equivalent P(1), two equivalent P(3), and two equivalent Se(1) atoms to form UP4Se2 octahedra that share corners with two equivalent U(3)P4Se2 octahedra, corners with four equivalent U(2)P4Se2 octahedra, edges with two equivalent U(2)P4Se2 octahedra, edges with two equivalent U(3)P4Se2 octahedra, and edges with eight equivalent U(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form PU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with two equivalent P(2)U6 octahedra, corners with two equivalent P(3)U6 octahedra, edges with two equivalent P(2)U6 octahedra, edges with three equivalent P(3)U6 octahedra, edges with three equivalent Se(2)U6 octahedra, and edges with four equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second P site, P(2) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form PU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with two equivalent Se(1)U6 octahedra, corners with two equivalent Se(2)U6 octahedra,  an edgeedge with one Se(1)U6 octahedra, edges with two equivalent P(1)U6 octahedra, edges with two equivalent P(2)U6 octahedra, edges with three equivalent P(3)U6 octahedra, and edges with four equivalent Se(2)U6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third P site, P(3) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form PU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with two equivalent P(3)U6 octahedra, corners with two equivalent Se(2)U6 octahedra, edges with two equivalent Se(2)U6 octahedra, edges with three equivalent P(1)U6 octahedra, edges with three equivalent P(2)U6 octahedra, and edges with four equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent U(3) and four equivalent U(1) atoms to form SeU6 octahedra that share corners with two equivalent P(2)U6 octahedra, corners with two equivalent Se(1)U6 octahedra, corners with two equivalent Se(2)U6 octahedra,  an edgeedge with one P(2)U6 octahedra,  an edgeedge with one Se(2)U6 octahedra, edges with two equivalent Se(1)U6 octahedra, edges with four equivalent P(1)U6 octahedra, and edges with four equivalent P(3)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Se site, Se(2) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form SeU6 octahedra that share corners with two equivalent P(2)U6 octahedra, corners with two equivalent P(3)U6 octahedra, corners with two equivalent Se(1)U6 octahedra,  an edgeedge with one Se(1)U6 octahedra, edges with two equivalent P(3)U6 octahedra, edges with two equivalent Se(2)U6 octahedra, edges with three equivalent P(1)U6 octahedra, and edges with four equivalent P(2)U6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5P3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.926
_cell_length_b   10.926
_cell_length_c   7.194
_cell_angle_alpha   83.521
_cell_angle_beta   83.521
_cell_angle_gamma   143.526
_symmetry_Int_Tables_number   1
_cell_volume   476.153
_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
  U  U0  1  0.610  0.904  0.993  1.0
  U  U1  1  0.187  0.293  0.000  1.0
  U  U2  1  0.096  0.390  0.507  1.0
  U  U3  1  0.813  0.707  1.000  1.0
  U  U4  1  0.707  0.813  0.500  1.0
  U  U5  1  0.390  0.096  0.007  1.0
  U  U6  1  0.293  0.187  0.500  1.0
  U  U7  1  0.000  0.500  0.000  1.0
  U  U8  1  0.904  0.610  0.493  1.0
  U  U9  1  0.500  0.000  0.500  1.0
  P  P10  1  0.349  0.651  0.750  1.0
  P  P11  1  0.952  0.048  0.750  1.0
  P  P12  1  0.849  0.151  0.250  1.0
  P  P13  1  0.151  0.849  0.750  1.0
  P  P14  1  0.048  0.952  0.250  1.0
  P  P15  1  0.651  0.349  0.250  1.0
  Se  Se16  1  0.749  0.251  0.750  1.0
  Se  Se17  1  0.548  0.452  0.750  1.0
  Se  Se18  1  0.452  0.548  0.250  1.0
  Se  Se19  1  0.251  0.749  0.250  1.0
[/CIF]
.
The material structure described by U5P3Se2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to one P(1), one P(2), one P(3), one Se(2), and two equivalent Se(1) atoms to form UP3Se3 octahedra that share corners with two equivalent U(2)P4Se2 octahedra, corners with four equivalent U(1)P3Se3 octahedra, edges with three equivalent U(1)P3Se3 octahedra, edges with four equivalent U(3)P4Se2 octahedra, and edges with five equivalent U(2)P4Se2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second U site, U(2) is bonded to one P(1), one P(3), two equivalent P(2), and two equivalent Se(2) atoms to form UP4Se2 octahedra that share corners with two equivalent U(1)P3Se3 octahedra, corners with two equivalent U(2)P4Se2 octahedra, corners with two equivalent U(3)P4Se2 octahedra,  an edgeedge with one U(3)P4Se2 octahedra, edges with five equivalent U(1)P3Se3 octahedra, and edges with six equivalent U(2)P4Se2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third U site, U(3) is bonded to two equivalent P(1), two equivalent P(3), and two equivalent Se(1) atoms to form UP4Se2 octahedra that share corners with two equivalent U(3)P4Se2 octahedra, corners with four equivalent U(2)P4Se2 octahedra, edges with two equivalent U(2)P4Se2 octahedra, edges with two equivalent U(3)P4Se2 octahedra, and edges with eight equivalent U(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are three inequivalent P sites. In the first P site, P(1) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form PU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with two equivalent P(2)U6 octahedra, corners with two equivalent P(3)U6 octahedra, edges with two equivalent P(2)U6 octahedra, edges with three equivalent P(3)U6 octahedra, edges with three equivalent Se(2)U6 octahedra, and edges with four equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second P site, P(2) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form PU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with two equivalent Se(1)U6 octahedra, corners with two equivalent Se(2)U6 octahedra,  an edgeedge with one Se(1)U6 octahedra, edges with two equivalent P(1)U6 octahedra, edges with two equivalent P(2)U6 octahedra, edges with three equivalent P(3)U6 octahedra, and edges with four equivalent Se(2)U6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third P site, P(3) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form PU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with two equivalent P(3)U6 octahedra, corners with two equivalent Se(2)U6 octahedra, edges with two equivalent Se(2)U6 octahedra, edges with three equivalent P(1)U6 octahedra, edges with three equivalent P(2)U6 octahedra, and edges with four equivalent Se(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent U(3) and four equivalent U(1) atoms to form SeU6 octahedra that share corners with two equivalent P(2)U6 octahedra, corners with two equivalent Se(1)U6 octahedra, corners with two equivalent Se(2)U6 octahedra,  an edgeedge with one P(2)U6 octahedra,  an edgeedge with one Se(2)U6 octahedra, edges with two equivalent Se(1)U6 octahedra, edges with four equivalent P(1)U6 octahedra, and edges with four equivalent P(3)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Se site, Se(2) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form SeU6 octahedra that share corners with two equivalent P(2)U6 octahedra, corners with two equivalent P(3)U6 octahedra, corners with two equivalent Se(1)U6 octahedra,  an edgeedge with one Se(1)U6 octahedra, edges with two equivalent P(3)U6 octahedra, edges with two equivalent Se(2)U6 octahedra, edges with three equivalent P(1)U6 octahedra, and edges with four equivalent P(2)U6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5P3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.926
_cell_length_b   10.926
_cell_length_c   7.194
_cell_angle_alpha   83.521
_cell_angle_beta   83.521
_cell_angle_gamma   143.526
_symmetry_Int_Tables_number   1
_cell_volume   476.153
_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
  U  U0  1  0.610  0.904  0.993  1.0
  U  U1  1  0.187  0.293  0.000  1.0
  U  U2  1  0.096  0.390  0.507  1.0
  U  U3  1  0.813  0.707  1.000  1.0
  U  U4  1  0.707  0.813  0.500  1.0
  U  U5  1  0.390  0.096  0.007  1.0
  U  U6  1  0.293  0.187  0.500  1.0
  U  U7  1  0.000  0.500  0.000  1.0
  U  U8  1  0.904  0.610  0.493  1.0
  U  U9  1  0.500  0.000  0.500  1.0
  P  P10  1  0.349  0.651  0.750  1.0
  P  P11  1  0.952  0.048  0.750  1.0
  P  P12  1  0.849  0.151  0.250  1.0
  P  P13  1  0.151  0.849  0.750  1.0
  P  P14  1  0.048  0.952  0.250  1.0
  P  P15  1  0.651  0.349  0.250  1.0
  Se  Se16  1  0.749  0.251  0.750  1.0
  Se  Se17  1  0.548  0.452  0.750  1.0
  Se  Se18  1  0.452  0.548  0.250  1.0
  Se  Se19  1  0.251  0.749  0.250  1.0
[/CIF]
.