The crystal structure described by PuU4C5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Pu(1) is bonded to six equivalent C(1) atoms to form PuC6 octahedra that share corners with six equivalent U(1)C6 octahedra, edges with six equivalent Pu(1)C6 octahedra, and edges with six equivalent U(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent U sites. In the first U site, U(1) is bonded to three equivalent C(1) and three equivalent C(3) atoms to form UC6 octahedra that share corners with three equivalent Pu(1)C6 octahedra, corners with three equivalent U(2)C6 octahedra, edges with three equivalent Pu(1)C6 octahedra, edges with three equivalent U(2)C6 octahedra, and edges with six equivalent U(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second U site, U(2) is bonded to three equivalent C(2) and three equivalent C(3) atoms to form a mixture of corner and edge-sharing UC6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Pu(1) and three equivalent U(1) atoms to form CPu3U3 octahedra that share corners with three equivalent C(1)Pu3U3 octahedra, corners with three equivalent C(3)U6 octahedra, edges with three equivalent C(3)U6 octahedra, and edges with nine equivalent C(1)Pu3U3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second C site, C(2) is bonded to six equivalent U(2) atoms to form a mixture of corner and edge-sharing CU6 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form CU6 octahedra that share corners with three equivalent C(1)Pu3U3 octahedra, corners with three equivalent C(2)U6 octahedra, edges with three equivalent C(1)Pu3U3 octahedra, edges with three equivalent C(2)U6 octahedra, and edges with six equivalent C(3)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_PuU4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.582
_cell_length_b   3.582
_cell_length_c   14.346
_cell_angle_alpha   82.828
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   157.769
_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
  Pu  Pu0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.601  0.203  0.196  1.0
  U  U2  1  0.200  0.401  0.399  1.0
  U  U3  1  0.800  0.599  0.601  1.0
  U  U4  1  0.399  0.797  0.804  1.0
  C  C5  1  0.701  0.401  0.898  1.0
  C  C6  1  0.500  0.000  0.500  1.0
  C  C7  1  0.099  0.198  0.702  1.0
  C  C8  1  0.299  0.599  0.102  1.0
  C  C9  1  0.901  0.802  0.298  1.0
[/CIF]
.
The crystal structure described by PuU4C5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. Pu(1) is bonded to six equivalent C(1) atoms to form PuC6 octahedra that share corners with six equivalent U(1)C6 octahedra, edges with six equivalent Pu(1)C6 octahedra, and edges with six equivalent U(1)C6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent U sites. In the first U site, U(1) is bonded to three equivalent C(1) and three equivalent C(3) atoms to form UC6 octahedra that share corners with three equivalent Pu(1)C6 octahedra, corners with three equivalent U(2)C6 octahedra, edges with three equivalent Pu(1)C6 octahedra, edges with three equivalent U(2)C6 octahedra, and edges with six equivalent U(1)C6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second U site, U(2) is bonded to three equivalent C(2) and three equivalent C(3) atoms to form a mixture of corner and edge-sharing UC6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent C sites. In the first C site, C(1) is bonded to three equivalent Pu(1) and three equivalent U(1) atoms to form CPu3U3 octahedra that share corners with three equivalent C(1)Pu3U3 octahedra, corners with three equivalent C(3)U6 octahedra, edges with three equivalent C(3)U6 octahedra, and edges with nine equivalent C(1)Pu3U3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second C site, C(2) is bonded to six equivalent U(2) atoms to form a mixture of corner and edge-sharing CU6 octahedra. The corner-sharing octahedra are not tilted. In the third C site, C(3) is bonded to three equivalent U(1) and three equivalent U(2) atoms to form CU6 octahedra that share corners with three equivalent C(1)Pu3U3 octahedra, corners with three equivalent C(2)U6 octahedra, edges with three equivalent C(1)Pu3U3 octahedra, edges with three equivalent C(2)U6 octahedra, and edges with six equivalent C(3)U6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_PuU4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.582
_cell_length_b   3.582
_cell_length_c   14.346
_cell_angle_alpha   82.828
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   157.769
_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
  Pu  Pu0  1  0.000  0.000  0.000  1.0
  U  U1  1  0.601  0.203  0.196  1.0
  U  U2  1  0.200  0.401  0.399  1.0
  U  U3  1  0.800  0.599  0.601  1.0
  U  U4  1  0.399  0.797  0.804  1.0
  C  C5  1  0.701  0.401  0.898  1.0
  C  C6  1  0.500  0.000  0.500  1.0
  C  C7  1  0.099  0.198  0.702  1.0
  C  C8  1  0.299  0.599  0.102  1.0
  C  C9  1  0.901  0.802  0.298  1.0
[/CIF]
.