The compound described by PbU2Se5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. In the second U site, U(2) is bonded in a 7-coordinate geometry to one Se(3), one Se(4), one Se(5), two equivalent Se(1), and two equivalent Se(2) atoms. Pb(1) is bonded to one Se(3), one Se(4), two equivalent Se(2), and two equivalent Se(5) atoms to form distorted edge-sharing PbSe6 pentagonal pyramids. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent U(1) and two equivalent U(2) atoms. In the second Se site, Se(2) is bonded to two equivalent U(2) and two equivalent Pb(1) atoms to form distorted SeU2Pb2 trigonal pyramids that share corners with two equivalent Se(2)U2Pb2 trigonal pyramids, corners with two equivalent Se(3)U3Pb trigonal pyramids,  an edgeedge with one Se(2)U2Pb2 trigonal pyramid, and  an edgeedge with one Se(3)U3Pb trigonal pyramid. In the third Se site, Se(3) is bonded to one U(2), two equivalent U(1), and one Pb(1) atom to form SeU3Pb trigonal pyramids that share corners with two equivalent Se(2)U2Pb2 trigonal pyramids, corners with two equivalent Se(3)U3Pb trigonal pyramids, and  an edgeedge with one Se(2)U2Pb2 trigonal pyramid. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to one U(2), two equivalent U(1), and one Pb(1) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one U(2), two equivalent U(1), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_U2PbSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.941
_cell_length_b   8.697
_cell_length_c   12.309
_cell_angle_alpha   89.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   850.122
_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  0.015  0.500  0.820  1.0
  U  U1  1  0.485  0.500  0.320  1.0
  U  U2  1  0.418  0.744  0.007  1.0
  U  U3  1  0.918  0.256  0.493  1.0
  U  U4  1  0.082  0.744  0.507  1.0
  U  U5  1  0.985  0.500  0.180  1.0
  U  U6  1  0.515  0.500  0.680  1.0
  U  U7  1  0.582  0.256  0.993  1.0
  Pb  Pb8  1  0.990  0.968  0.813  1.0
  Pb  Pb9  1  0.010  0.032  0.187  1.0
  Pb  Pb10  1  0.510  0.968  0.313  1.0
  Pb  Pb11  1  0.490  0.032  0.687  1.0
  Se  Se12  1  0.659  0.549  0.900  1.0
  Se  Se13  1  0.841  0.549  0.400  1.0
  Se  Se14  1  0.343  0.037  0.087  1.0
  Se  Se15  1  0.663  0.723  0.182  1.0
  Se  Se16  1  0.843  0.963  0.413  1.0
  Se  Se17  1  0.458  0.716  0.499  1.0
  Se  Se18  1  0.159  0.451  0.600  1.0
  Se  Se19  1  0.200  0.728  0.281  1.0
  Se  Se20  1  0.657  0.963  0.913  1.0
  Se  Se21  1  0.958  0.284  0.001  1.0
  Se  Se22  1  0.163  0.277  0.318  1.0
  Se  Se23  1  0.700  0.272  0.219  1.0
  Se  Se24  1  0.837  0.723  0.682  1.0
  Se  Se25  1  0.157  0.037  0.587  1.0
  Se  Se26  1  0.542  0.284  0.501  1.0
  Se  Se27  1  0.042  0.716  0.999  1.0
  Se  Se28  1  0.341  0.451  0.100  1.0
  Se  Se29  1  0.337  0.277  0.818  1.0
  Se  Se30  1  0.800  0.272  0.719  1.0
  Se  Se31  1  0.300  0.728  0.781  1.0
[/CIF]
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The compound described by PbU2Se5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. In the second U site, U(2) is bonded in a 7-coordinate geometry to one Se(3), one Se(4), one Se(5), two equivalent Se(1), and two equivalent Se(2) atoms. Pb(1) is bonded to one Se(3), one Se(4), two equivalent Se(2), and two equivalent Se(5) atoms to form distorted edge-sharing PbSe6 pentagonal pyramids. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent U(1) and two equivalent U(2) atoms. In the second Se site, Se(2) is bonded to two equivalent U(2) and two equivalent Pb(1) atoms to form distorted SeU2Pb2 trigonal pyramids that share corners with two equivalent Se(2)U2Pb2 trigonal pyramids, corners with two equivalent Se(3)U3Pb trigonal pyramids,  an edgeedge with one Se(2)U2Pb2 trigonal pyramid, and  an edgeedge with one Se(3)U3Pb trigonal pyramid. In the third Se site, Se(3) is bonded to one U(2), two equivalent U(1), and one Pb(1) atom to form SeU3Pb trigonal pyramids that share corners with two equivalent Se(2)U2Pb2 trigonal pyramids, corners with two equivalent Se(3)U3Pb trigonal pyramids, and  an edgeedge with one Se(2)U2Pb2 trigonal pyramid. In the fourth Se site, Se(4) is bonded in a distorted see-saw-like geometry to one U(2), two equivalent U(1), and one Pb(1) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one U(2), two equivalent U(1), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_U2PbSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.941
_cell_length_b   8.697
_cell_length_c   12.309
_cell_angle_alpha   89.426
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   850.122
_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  0.015  0.500  0.820  1.0
  U  U1  1  0.485  0.500  0.320  1.0
  U  U2  1  0.418  0.744  0.007  1.0
  U  U3  1  0.918  0.256  0.493  1.0
  U  U4  1  0.082  0.744  0.507  1.0
  U  U5  1  0.985  0.500  0.180  1.0
  U  U6  1  0.515  0.500  0.680  1.0
  U  U7  1  0.582  0.256  0.993  1.0
  Pb  Pb8  1  0.990  0.968  0.813  1.0
  Pb  Pb9  1  0.010  0.032  0.187  1.0
  Pb  Pb10  1  0.510  0.968  0.313  1.0
  Pb  Pb11  1  0.490  0.032  0.687  1.0
  Se  Se12  1  0.659  0.549  0.900  1.0
  Se  Se13  1  0.841  0.549  0.400  1.0
  Se  Se14  1  0.343  0.037  0.087  1.0
  Se  Se15  1  0.663  0.723  0.182  1.0
  Se  Se16  1  0.843  0.963  0.413  1.0
  Se  Se17  1  0.458  0.716  0.499  1.0
  Se  Se18  1  0.159  0.451  0.600  1.0
  Se  Se19  1  0.200  0.728  0.281  1.0
  Se  Se20  1  0.657  0.963  0.913  1.0
  Se  Se21  1  0.958  0.284  0.001  1.0
  Se  Se22  1  0.163  0.277  0.318  1.0
  Se  Se23  1  0.700  0.272  0.219  1.0
  Se  Se24  1  0.837  0.723  0.682  1.0
  Se  Se25  1  0.157  0.037  0.587  1.0
  Se  Se26  1  0.542  0.284  0.501  1.0
  Se  Se27  1  0.042  0.716  0.999  1.0
  Se  Se28  1  0.341  0.451  0.100  1.0
  Se  Se29  1  0.337  0.277  0.818  1.0
  Se  Se30  1  0.800  0.272  0.719  1.0
  Se  Se31  1  0.300  0.728  0.781  1.0
[/CIF]
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