The material described by U2PS is Caswellsilverite-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing UP3S3 octahedra. The corner-sharing octahedra are not tilted. In the second U site, U(2) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing UP3S3 octahedra. The corner-sharing octahedra are not tilted. P(1) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form PU6 octahedra that share corners with two equivalent S(1)U6 octahedra, corners with four equivalent P(1)U6 octahedra, edges with four equivalent P(1)U6 octahedra, and edges with eight equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form SU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with four equivalent S(1)U6 octahedra, edges with four equivalent S(1)U6 octahedra, and edges with eight equivalent P(1)U6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_U2PS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.937
_cell_length_b   6.937
_cell_length_c   6.937
_cell_angle_alpha   132.555
_cell_angle_beta   132.083
_cell_angle_gamma   69.726
_symmetry_Int_Tables_number   1
_cell_volume   178.983
_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  0.499  0.999  0.500  1.0
  U  U1  1  0.001  0.501  0.500  1.0
  U  U2  1  0.749  0.749  0.000  1.0
  U  U3  1  0.251  0.251  0.000  1.0
  P  P4  1  0.250  0.750  0.500  1.0
  P  P5  1  0.500  0.500  0.000  1.0
  S  S6  1  1.000  1.000  0.000  1.0
  S  S7  1  0.750  0.250  0.500  1.0
[/CIF]
.
The material described by U2PS is Caswellsilverite-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing UP3S3 octahedra. The corner-sharing octahedra are not tilted. In the second U site, U(2) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form a mixture of corner and edge-sharing UP3S3 octahedra. The corner-sharing octahedra are not tilted. P(1) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form PU6 octahedra that share corners with two equivalent S(1)U6 octahedra, corners with four equivalent P(1)U6 octahedra, edges with four equivalent P(1)U6 octahedra, and edges with eight equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form SU6 octahedra that share corners with two equivalent P(1)U6 octahedra, corners with four equivalent S(1)U6 octahedra, edges with four equivalent S(1)U6 octahedra, and edges with eight equivalent P(1)U6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_U2PS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.937
_cell_length_b   6.937
_cell_length_c   6.937
_cell_angle_alpha   132.555
_cell_angle_beta   132.083
_cell_angle_gamma   69.726
_symmetry_Int_Tables_number   1
_cell_volume   178.983
_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  0.499  0.999  0.500  1.0
  U  U1  1  0.001  0.501  0.500  1.0
  U  U2  1  0.749  0.749  0.000  1.0
  U  U3  1  0.251  0.251  0.000  1.0
  P  P4  1  0.250  0.750  0.500  1.0
  P  P5  1  0.500  0.500  0.000  1.0
  S  S6  1  1.000  1.000  0.000  1.0
  S  S7  1  0.750  0.250  0.500  1.0
[/CIF]
.