The crystal structure described by U2PbS5 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Pb(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), and four equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1) and two equivalent Pb(1) atoms to form distorted SU2Pb2 tetrahedra that share corners with two equivalent S(4)U4Pb square pyramids, corners with four equivalent S(3)U4Pb square pyramids, corners with six equivalent S(1)U2Pb2 tetrahedra, corners with two equivalent S(2)U4Pb trigonal bipyramids,  an edgeedge with one S(3)U4Pb square pyramid, edges with two equivalent S(4)U4Pb square pyramids,  an edgeedge with one S(1)U2Pb2 tetrahedra, and edges with two equivalent S(2)U4Pb trigonal bipyramids. In the second S site, S(2) is bonded to four equivalent U(1) and one Pb(1) atom to form distorted SU4Pb trigonal bipyramids that share  a cornercorner with one S(4)U4Pb square pyramid, corners with five equivalent S(3)U4Pb square pyramids, corners with four equivalent S(1)U2Pb2 tetrahedra, corners with four equivalent S(2)U4Pb trigonal bipyramids, edges with two equivalent S(3)U4Pb square pyramids, edges with four equivalent S(4)U4Pb square pyramids, and edges with four equivalent S(1)U2Pb2 tetrahedra. In the third S site, S(3) is bonded to four equivalent U(1) and one Pb(1) atom to form distorted SU4Pb square pyramids that share corners with four equivalent S(4)U4Pb square pyramids, corners with eight equivalent S(1)U2Pb2 tetrahedra, corners with five equivalent S(2)U4Pb trigonal bipyramids,  an edgeedge with one S(4)U4Pb square pyramid, edges with two equivalent S(3)U4Pb square pyramids, edges with two equivalent S(1)U2Pb2 tetrahedra, edges with two equivalent S(2)U4Pb trigonal bipyramids, and  a faceface with one S(4)U4Pb square pyramid. In the fourth S site, S(4) is bonded to four equivalent U(1) and one Pb(1) atom to form distorted SU4Pb square pyramids that share corners with four equivalent S(3)U4Pb square pyramids, corners with four equivalent S(4)U4Pb square pyramids, corners with four equivalent S(1)U2Pb2 tetrahedra,  a cornercorner with one S(2)U4Pb trigonal bipyramid,  an edgeedge with one S(3)U4Pb square pyramid, edges with four equivalent S(1)U2Pb2 tetrahedra, edges with four equivalent S(2)U4Pb trigonal bipyramids, and  a faceface with one S(3)U4Pb square pyramid. is represented by the CIF card [CIF]
data_U2PbS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.715
_cell_length_c   12.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.018
_cell_formula_units_Z   4
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  0.515  0.503  0.321  1.0
  U  U1  1  0.985  0.997  0.821  1.0
  U  U2  1  0.485  0.003  0.679  1.0
  U  U3  1  0.015  0.497  0.179  1.0
  U  U4  1  0.485  0.497  0.679  1.0
  U  U5  1  0.015  0.003  0.179  1.0
  U  U6  1  0.515  0.997  0.321  1.0
  U  U7  1  0.985  0.503  0.821  1.0
  Pb  Pb8  1  0.059  0.750  0.491  1.0
  Pb  Pb9  1  0.441  0.750  0.991  1.0
  Pb  Pb10  1  0.941  0.250  0.509  1.0
  Pb  Pb11  1  0.559  0.250  0.009  1.0
  S  S12  1  0.832  0.965  0.623  1.0
  S  S13  1  0.668  0.535  0.123  1.0
  S  S14  1  0.168  0.465  0.377  1.0
  S  S15  1  0.332  0.035  0.877  1.0
  S  S16  1  0.168  0.035  0.377  1.0
  S  S17  1  0.332  0.465  0.877  1.0
  S  S18  1  0.832  0.535  0.623  1.0
  S  S19  1  0.668  0.965  0.123  1.0
  S  S20  1  0.821  0.750  0.309  1.0
  S  S21  1  0.679  0.750  0.809  1.0
  S  S22  1  0.179  0.250  0.691  1.0
  S  S23  1  0.321  0.250  0.191  1.0
  S  S24  1  0.484  0.750  0.496  1.0
  S  S25  1  0.016  0.750  0.996  1.0
  S  S26  1  0.516  0.250  0.504  1.0
  S  S27  1  0.984  0.250  0.004  1.0
  S  S28  1  0.200  0.750  0.713  1.0
  S  S29  1  0.300  0.750  0.213  1.0
  S  S30  1  0.800  0.250  0.287  1.0
  S  S31  1  0.700  0.250  0.787  1.0
[/CIF]
.
The crystal structure described by U2PbS5 crystallizes in the orthorhombic Pnma space group. U(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Pb(1) is bonded in a 7-coordinate geometry to one S(2), one S(3), one S(4), and four equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1) and two equivalent Pb(1) atoms to form distorted SU2Pb2 tetrahedra that share corners with two equivalent S(4)U4Pb square pyramids, corners with four equivalent S(3)U4Pb square pyramids, corners with six equivalent S(1)U2Pb2 tetrahedra, corners with two equivalent S(2)U4Pb trigonal bipyramids,  an edgeedge with one S(3)U4Pb square pyramid, edges with two equivalent S(4)U4Pb square pyramids,  an edgeedge with one S(1)U2Pb2 tetrahedra, and edges with two equivalent S(2)U4Pb trigonal bipyramids. In the second S site, S(2) is bonded to four equivalent U(1) and one Pb(1) atom to form distorted SU4Pb trigonal bipyramids that share  a cornercorner with one S(4)U4Pb square pyramid, corners with five equivalent S(3)U4Pb square pyramids, corners with four equivalent S(1)U2Pb2 tetrahedra, corners with four equivalent S(2)U4Pb trigonal bipyramids, edges with two equivalent S(3)U4Pb square pyramids, edges with four equivalent S(4)U4Pb square pyramids, and edges with four equivalent S(1)U2Pb2 tetrahedra. In the third S site, S(3) is bonded to four equivalent U(1) and one Pb(1) atom to form distorted SU4Pb square pyramids that share corners with four equivalent S(4)U4Pb square pyramids, corners with eight equivalent S(1)U2Pb2 tetrahedra, corners with five equivalent S(2)U4Pb trigonal bipyramids,  an edgeedge with one S(4)U4Pb square pyramid, edges with two equivalent S(3)U4Pb square pyramids, edges with two equivalent S(1)U2Pb2 tetrahedra, edges with two equivalent S(2)U4Pb trigonal bipyramids, and  a faceface with one S(4)U4Pb square pyramid. In the fourth S site, S(4) is bonded to four equivalent U(1) and one Pb(1) atom to form distorted SU4Pb square pyramids that share corners with four equivalent S(3)U4Pb square pyramids, corners with four equivalent S(4)U4Pb square pyramids, corners with four equivalent S(1)U2Pb2 tetrahedra,  a cornercorner with one S(2)U4Pb trigonal bipyramid,  an edgeedge with one S(3)U4Pb square pyramid, edges with four equivalent S(1)U2Pb2 tetrahedra, edges with four equivalent S(2)U4Pb trigonal bipyramids, and  a faceface with one S(3)U4Pb square pyramid. is represented by the CIF card [CIF]
data_U2PbS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.715
_cell_length_c   12.309
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   703.018
_cell_formula_units_Z   4
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  0.515  0.503  0.321  1.0
  U  U1  1  0.985  0.997  0.821  1.0
  U  U2  1  0.485  0.003  0.679  1.0
  U  U3  1  0.015  0.497  0.179  1.0
  U  U4  1  0.485  0.497  0.679  1.0
  U  U5  1  0.015  0.003  0.179  1.0
  U  U6  1  0.515  0.997  0.321  1.0
  U  U7  1  0.985  0.503  0.821  1.0
  Pb  Pb8  1  0.059  0.750  0.491  1.0
  Pb  Pb9  1  0.441  0.750  0.991  1.0
  Pb  Pb10  1  0.941  0.250  0.509  1.0
  Pb  Pb11  1  0.559  0.250  0.009  1.0
  S  S12  1  0.832  0.965  0.623  1.0
  S  S13  1  0.668  0.535  0.123  1.0
  S  S14  1  0.168  0.465  0.377  1.0
  S  S15  1  0.332  0.035  0.877  1.0
  S  S16  1  0.168  0.035  0.377  1.0
  S  S17  1  0.332  0.465  0.877  1.0
  S  S18  1  0.832  0.535  0.623  1.0
  S  S19  1  0.668  0.965  0.123  1.0
  S  S20  1  0.821  0.750  0.309  1.0
  S  S21  1  0.679  0.750  0.809  1.0
  S  S22  1  0.179  0.250  0.691  1.0
  S  S23  1  0.321  0.250  0.191  1.0
  S  S24  1  0.484  0.750  0.496  1.0
  S  S25  1  0.016  0.750  0.996  1.0
  S  S26  1  0.516  0.250  0.504  1.0
  S  S27  1  0.984  0.250  0.004  1.0
  S  S28  1  0.200  0.750  0.713  1.0
  S  S29  1  0.300  0.750  0.213  1.0
  S  S30  1  0.800  0.250  0.287  1.0
  S  S31  1  0.700  0.250  0.787  1.0
[/CIF]
.