The compound described by U3Th3P8 crystallizes in the monoclinic C2 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted UP8 hexagonal bipyramids that share corners with four equivalent U(2)P8 hexagonal bipyramids, corners with four equivalent Th(1)P8 hexagonal bipyramids, edges with four equivalent Th(2)P8 hexagonal bipyramids, faces with four equivalent U(2)P8 hexagonal bipyramids, and faces with four equivalent Th(1)P8 hexagonal bipyramids. In the second U site, U(2) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted UP8 hexagonal bipyramids that share corners with two equivalent U(1)P8 hexagonal bipyramids, corners with two equivalent Th(2)P8 hexagonal bipyramids, corners with four equivalent Th(1)P8 hexagonal bipyramids, edges with four equivalent U(2)P8 hexagonal bipyramids, faces with two equivalent U(1)P8 hexagonal bipyramids, faces with two equivalent Th(2)P8 hexagonal bipyramids, and faces with four equivalent Th(1)P8 hexagonal bipyramids. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted ThP8 hexagonal bipyramids that share corners with two equivalent U(1)P8 hexagonal bipyramids, corners with two equivalent Th(2)P8 hexagonal bipyramids, corners with four equivalent U(2)P8 hexagonal bipyramids, edges with four equivalent Th(1)P8 hexagonal bipyramids, faces with two equivalent U(1)P8 hexagonal bipyramids, faces with two equivalent Th(2)P8 hexagonal bipyramids, and faces with four equivalent U(2)P8 hexagonal bipyramids. In the second Th site, Th(2) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted ThP8 hexagonal bipyramids that share corners with four equivalent U(2)P8 hexagonal bipyramids, corners with four equivalent Th(1)P8 hexagonal bipyramids, edges with four equivalent U(1)P8 hexagonal bipyramids, faces with four equivalent U(2)P8 hexagonal bipyramids, and faces with four equivalent Th(1)P8 hexagonal bipyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. In the second P site, P(2) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 14-53°. In the third P site, P(3) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. In the fourth P site, P(4) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. is represented by the CIF card [CIF]
data_Th3U3P8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.285
_cell_length_b   7.285
_cell_length_c   8.413
_cell_angle_alpha   54.990
_cell_angle_beta   54.990
_cell_angle_gamma   70.626
_symmetry_Int_Tables_number   1
_cell_volume   299.542
_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
  Th  Th0  1  0.125  0.621  0.378  1.0
  Th  Th1  1  0.379  0.875  0.622  1.0
  Th  Th2  1  0.622  0.378  0.500  1.0
  U  U3  1  0.878  0.122  0.000  1.0
  U  U4  1  0.748  0.752  0.873  1.0
  U  U5  1  0.248  0.252  0.127  1.0
  P  P6  1  0.654  0.490  0.768  1.0
  P  P7  1  0.995  0.151  0.597  1.0
  P  P8  1  0.849  0.005  0.403  1.0
  P  P9  1  0.510  0.346  0.232  1.0
  P  P10  1  0.999  0.660  0.085  1.0
  P  P11  1  0.145  0.492  0.768  1.0
  P  P12  1  0.340  0.001  0.915  1.0
  P  P13  1  0.508  0.855  0.232  1.0
[/CIF]
.
The compound described by U3Th3P8 crystallizes in the monoclinic C2 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted UP8 hexagonal bipyramids that share corners with four equivalent U(2)P8 hexagonal bipyramids, corners with four equivalent Th(1)P8 hexagonal bipyramids, edges with four equivalent Th(2)P8 hexagonal bipyramids, faces with four equivalent U(2)P8 hexagonal bipyramids, and faces with four equivalent Th(1)P8 hexagonal bipyramids. In the second U site, U(2) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted UP8 hexagonal bipyramids that share corners with two equivalent U(1)P8 hexagonal bipyramids, corners with two equivalent Th(2)P8 hexagonal bipyramids, corners with four equivalent Th(1)P8 hexagonal bipyramids, edges with four equivalent U(2)P8 hexagonal bipyramids, faces with two equivalent U(1)P8 hexagonal bipyramids, faces with two equivalent Th(2)P8 hexagonal bipyramids, and faces with four equivalent Th(1)P8 hexagonal bipyramids. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted ThP8 hexagonal bipyramids that share corners with two equivalent U(1)P8 hexagonal bipyramids, corners with two equivalent Th(2)P8 hexagonal bipyramids, corners with four equivalent U(2)P8 hexagonal bipyramids, edges with four equivalent Th(1)P8 hexagonal bipyramids, faces with two equivalent U(1)P8 hexagonal bipyramids, faces with two equivalent Th(2)P8 hexagonal bipyramids, and faces with four equivalent U(2)P8 hexagonal bipyramids. In the second Th site, Th(2) is bonded to two equivalent P(1), two equivalent P(2), two equivalent P(3), and two equivalent P(4) atoms to form distorted ThP8 hexagonal bipyramids that share corners with four equivalent U(2)P8 hexagonal bipyramids, corners with four equivalent Th(1)P8 hexagonal bipyramids, edges with four equivalent U(1)P8 hexagonal bipyramids, faces with four equivalent U(2)P8 hexagonal bipyramids, and faces with four equivalent Th(1)P8 hexagonal bipyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 13-53°. In the second P site, P(2) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 14-53°. In the third P site, P(3) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. In the fourth P site, P(4) is bonded to one U(1), two equivalent U(2), one Th(2), and two equivalent Th(1) atoms to form a mixture of distorted face, corner, and edge-sharing PTh3U3 octahedra. The corner-sharing octahedral tilt angles range from 13-54°. is represented by the CIF card [CIF]
data_Th3U3P8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.285
_cell_length_b   7.285
_cell_length_c   8.413
_cell_angle_alpha   54.990
_cell_angle_beta   54.990
_cell_angle_gamma   70.626
_symmetry_Int_Tables_number   1
_cell_volume   299.542
_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
  Th  Th0  1  0.125  0.621  0.378  1.0
  Th  Th1  1  0.379  0.875  0.622  1.0
  Th  Th2  1  0.622  0.378  0.500  1.0
  U  U3  1  0.878  0.122  0.000  1.0
  U  U4  1  0.748  0.752  0.873  1.0
  U  U5  1  0.248  0.252  0.127  1.0
  P  P6  1  0.654  0.490  0.768  1.0
  P  P7  1  0.995  0.151  0.597  1.0
  P  P8  1  0.849  0.005  0.403  1.0
  P  P9  1  0.510  0.346  0.232  1.0
  P  P10  1  0.999  0.660  0.085  1.0
  P  P11  1  0.145  0.492  0.768  1.0
  P  P12  1  0.340  0.001  0.915  1.0
  P  P13  1  0.508  0.855  0.232  1.0
[/CIF]
.