The material structure described by U3P2Se is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent P(1) and two equivalent Se(1) atoms to form a mixture of edge and corner-sharing UP4Se2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second U site, U(2) is bonded to four equivalent P(1) and two equivalent Se(1) atoms to form a mixture of edge and corner-sharing UP4Se2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. P(1) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form PU6 octahedra that share corners with two equivalent Se(1)U6 octahedra, corners with four equivalent P(1)U6 octahedra, edges with five equivalent Se(1)U6 octahedra, and edges with seven equivalent P(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Se(1) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form SeU6 octahedra that share corners with two equivalent Se(1)U6 octahedra, corners with four equivalent P(1)U6 octahedra, edges with two equivalent Se(1)U6 octahedra, and edges with ten equivalent P(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_U3P2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.202
_cell_length_b   7.202
_cell_length_c   7.202
_cell_angle_alpha   147.809
_cell_angle_beta   132.716
_cell_angle_gamma   58.356
_symmetry_Int_Tables_number   1
_cell_volume   145.066
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  U  U1  1  0.176  0.676  0.500  1.0
  U  U2  1  0.824  0.324  0.500  1.0
  P  P3  1  0.664  0.664  0.000  1.0
  P  P4  1  0.336  0.336  0.000  1.0
  Se  Se5  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by U3P2Se is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to four equivalent P(1) and two equivalent Se(1) atoms to form a mixture of edge and corner-sharing UP4Se2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second U site, U(2) is bonded to four equivalent P(1) and two equivalent Se(1) atoms to form a mixture of edge and corner-sharing UP4Se2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. P(1) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form PU6 octahedra that share corners with two equivalent Se(1)U6 octahedra, corners with four equivalent P(1)U6 octahedra, edges with five equivalent Se(1)U6 octahedra, and edges with seven equivalent P(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Se(1) is bonded to two equivalent U(1) and four equivalent U(2) atoms to form SeU6 octahedra that share corners with two equivalent Se(1)U6 octahedra, corners with four equivalent P(1)U6 octahedra, edges with two equivalent Se(1)U6 octahedra, and edges with ten equivalent P(1)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_U3P2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.202
_cell_length_b   7.202
_cell_length_c   7.202
_cell_angle_alpha   147.809
_cell_angle_beta   132.716
_cell_angle_gamma   58.356
_symmetry_Int_Tables_number   1
_cell_volume   145.066
_cell_formula_units_Z   1
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  0.500  0.000  0.500  1.0
  U  U1  1  0.176  0.676  0.500  1.0
  U  U2  1  0.824  0.324  0.500  1.0
  P  P3  1  0.664  0.664  0.000  1.0
  P  P4  1  0.336  0.336  0.000  1.0
  Se  Se5  1  0.000  0.000  0.000  1.0
[/CIF]
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