The crystal structure described by U5P4S is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form UP6 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(2)P6 octahedra, edges with three equivalent U(3)P3S3 octahedra, edges with three equivalent U(2)P6 octahedra, and edges with six equivalent U(1)P6 octahedra. The corner-sharing octahedra are not tilted. In the second U site, U(2) is bonded to six equivalent P(2) atoms to form a mixture of edge and corner-sharing UP6 octahedra. The corner-sharing octahedra are not tilted. In the third U site, U(3) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form UP3S3 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(1)P6 octahedra, edges with three equivalent U(1)P6 octahedra, and edges with nine equivalent U(3)P3S3 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent U(1) and three equivalent U(3) atoms to form PU6 octahedra that share corners with three equivalent P(2)U6 octahedra, corners with three equivalent S(1)U6 octahedra, edges with three equivalent P(2)U6 octahedra, edges with three equivalent S(1)U6 octahedra, and edges with six equivalent P(1)U6 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form a mixture of edge and corner-sharing PU6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to six equivalent U(3) atoms to form SU6 octahedra that share corners with six equivalent P(1)U6 octahedra, edges with six equivalent P(1)U6 octahedra, and edges with six equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5P4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.984
_cell_length_b   15.984
_cell_length_c   15.984
_cell_angle_alpha   14.113
_cell_angle_beta   14.113
_cell_angle_gamma   14.113
_symmetry_Int_Tables_number   1
_cell_volume   211.340
_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  0.600  0.600  0.600  1.0
  U  U1  1  0.400  0.400  0.400  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  U  U3  1  0.200  0.200  0.200  1.0
  U  U4  1  0.800  0.800  0.800  1.0
  P  P5  1  0.100  0.100  0.100  1.0
  P  P6  1  0.700  0.700  0.700  1.0
  P  P7  1  0.300  0.300  0.300  1.0
  P  P8  1  0.900  0.900  0.900  1.0
  S  S9  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by U5P4S is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. There are three inequivalent U sites. In the first U site, U(1) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form UP6 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(2)P6 octahedra, edges with three equivalent U(3)P3S3 octahedra, edges with three equivalent U(2)P6 octahedra, and edges with six equivalent U(1)P6 octahedra. The corner-sharing octahedra are not tilted. In the second U site, U(2) is bonded to six equivalent P(2) atoms to form a mixture of edge and corner-sharing UP6 octahedra. The corner-sharing octahedra are not tilted. In the third U site, U(3) is bonded to three equivalent P(1) and three equivalent S(1) atoms to form UP3S3 octahedra that share corners with three equivalent U(3)P3S3 octahedra, corners with three equivalent U(1)P6 octahedra, edges with three equivalent U(1)P6 octahedra, and edges with nine equivalent U(3)P3S3 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent U(1) and three equivalent U(3) atoms to form PU6 octahedra that share corners with three equivalent P(2)U6 octahedra, corners with three equivalent S(1)U6 octahedra, edges with three equivalent P(2)U6 octahedra, edges with three equivalent S(1)U6 octahedra, and edges with six equivalent P(1)U6 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form a mixture of edge and corner-sharing PU6 octahedra. The corner-sharing octahedra are not tilted. S(1) is bonded to six equivalent U(3) atoms to form SU6 octahedra that share corners with six equivalent P(1)U6 octahedra, edges with six equivalent P(1)U6 octahedra, and edges with six equivalent S(1)U6 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_U5P4S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.984
_cell_length_b   15.984
_cell_length_c   15.984
_cell_angle_alpha   14.113
_cell_angle_beta   14.113
_cell_angle_gamma   14.113
_symmetry_Int_Tables_number   1
_cell_volume   211.340
_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  0.600  0.600  0.600  1.0
  U  U1  1  0.400  0.400  0.400  1.0
  U  U2  1  0.000  0.000  0.000  1.0
  U  U3  1  0.200  0.200  0.200  1.0
  U  U4  1  0.800  0.800  0.800  1.0
  P  P5  1  0.100  0.100  0.100  1.0
  P  P6  1  0.700  0.700  0.700  1.0
  P  P7  1  0.300  0.300  0.300  1.0
  P  P8  1  0.900  0.900  0.900  1.0
  S  S9  1  0.500  0.500  0.500  1.0
[/CIF]
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