The crystal structure described by Ba8PdU2Se12(Se2)2 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Se(1), one Se(2), two equivalent Se(3), two equivalent Se(4), and three equivalent Se(5) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(5), and four equivalent Se(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Pd(1), one Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. U(1) is bonded in an octahedral geometry to two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Ba(3) and four equivalent Se(3) atoms. There are five inequivalent Se sites. In the first Se site, Se(4) is bonded to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one U(1) atom to form a mixture of distorted edge, face, and corner-sharing SeBa5U octahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the second Se site, Se(5) is bonded to one Ba(2), one Ba(3), three equivalent Ba(1), and one U(1) atom to form a mixture of distorted edge, face, and corner-sharing SeBa5U octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the third Se site, Se(1) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Se(1) atom. In the fourth Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and one Se(2) atom. In the fifth Se site, Se(3) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(1), one U(1), and one Pd(1) atom. is represented by the CIF file [CIF]
data_Ba8U2PdSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.621
_cell_length_b   12.420
_cell_length_c   14.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1681.348
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.891  0.338  0.745  1.0
  Ba  Ba1  1  0.109  0.662  0.745  1.0
  Ba  Ba2  1  0.391  0.162  0.755  1.0
  Ba  Ba3  1  0.609  0.838  0.755  1.0
  Ba  Ba4  1  0.109  0.662  0.255  1.0
  Ba  Ba5  1  0.891  0.338  0.255  1.0
  Ba  Ba6  1  0.609  0.838  0.245  1.0
  Ba  Ba7  1  0.391  0.162  0.245  1.0
  Ba  Ba8  1  0.791  0.086  0.500  1.0
  Ba  Ba9  1  0.209  0.914  0.500  1.0
  Ba  Ba10  1  0.291  0.414  0.000  1.0
  Ba  Ba11  1  0.709  0.586  0.000  1.0
  Ba  Ba12  1  0.236  0.342  0.500  1.0
  Ba  Ba13  1  0.764  0.658  0.500  1.0
  Ba  Ba14  1  0.736  0.158  0.000  1.0
  Ba  Ba15  1  0.264  0.842  0.000  1.0
  U  U16  1  0.500  0.500  0.744  1.0
  U  U17  1  0.000  0.000  0.756  1.0
  U  U18  1  0.500  0.500  0.256  1.0
  U  U19  1  0.000  0.000  0.244  1.0
  Pd  Pd20  1  0.500  0.500  0.500  1.0
  Pd  Pd21  1  0.000  0.000  0.000  1.0
  Se  Se22  1  0.542  0.908  0.500  1.0
  Se  Se23  1  0.458  0.092  0.500  1.0
  Se  Se24  1  0.042  0.592  0.000  1.0
  Se  Se25  1  0.958  0.408  0.000  1.0
  Se  Se26  1  0.915  0.427  0.500  1.0
  Se  Se27  1  0.085  0.573  0.500  1.0
  Se  Se28  1  0.415  0.073  0.000  1.0
  Se  Se29  1  0.585  0.927  0.000  1.0
  Se  Se30  1  0.578  0.350  0.612  1.0
  Se  Se31  1  0.422  0.650  0.612  1.0
  Se  Se32  1  0.078  0.150  0.888  1.0
  Se  Se33  1  0.922  0.850  0.888  1.0
  Se  Se34  1  0.422  0.650  0.388  1.0
  Se  Se35  1  0.578  0.350  0.388  1.0
  Se  Se36  1  0.922  0.850  0.112  1.0
  Se  Se37  1  0.078  0.150  0.112  1.0
  Se  Se38  1  0.586  0.351  0.874  1.0
  Se  Se39  1  0.414  0.649  0.874  1.0
  Se  Se40  1  0.086  0.149  0.626  1.0
  Se  Se41  1  0.914  0.851  0.626  1.0
  Se  Se42  1  0.414  0.649  0.126  1.0
  Se  Se43  1  0.586  0.351  0.126  1.0
  Se  Se44  1  0.914  0.851  0.374  1.0
  Se  Se45  1  0.086  0.149  0.374  1.0
  Se  Se46  1  0.731  0.092  0.751  1.0
  Se  Se47  1  0.269  0.908  0.751  1.0
  Se  Se48  1  0.231  0.408  0.749  1.0
  Se  Se49  1  0.769  0.592  0.749  1.0
  Se  Se50  1  0.269  0.908  0.249  1.0
  Se  Se51  1  0.731  0.092  0.249  1.0
  Se  Se52  1  0.769  0.592  0.251  1.0
  Se  Se53  1  0.231  0.408  0.251  1.0
[/CIF]
.
The crystal structure described by Ba8PdU2Se12(Se2)2 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one Se(1), one Se(2), two equivalent Se(3), two equivalent Se(4), and three equivalent Se(5) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(5), and four equivalent Se(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Pd(1), one Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. U(1) is bonded in an octahedral geometry to two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Ba(3) and four equivalent Se(3) atoms. There are five inequivalent Se sites. In the first Se site, Se(4) is bonded to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one U(1) atom to form a mixture of distorted edge, face, and corner-sharing SeBa5U octahedra. The corner-sharing octahedral tilt angles range from 33-57°. In the second Se site, Se(5) is bonded to one Ba(2), one Ba(3), three equivalent Ba(1), and one U(1) atom to form a mixture of distorted edge, face, and corner-sharing SeBa5U octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the third Se site, Se(1) is bonded in a 6-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), and one Se(1) atom. In the fourth Se site, Se(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), and one Se(2) atom. In the fifth Se site, Se(3) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(1), one U(1), and one Pd(1) atom. is represented by the CIF file [CIF]
data_Ba8U2PdSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.621
_cell_length_b   12.420
_cell_length_c   14.071
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1681.348
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.891  0.338  0.745  1.0
  Ba  Ba1  1  0.109  0.662  0.745  1.0
  Ba  Ba2  1  0.391  0.162  0.755  1.0
  Ba  Ba3  1  0.609  0.838  0.755  1.0
  Ba  Ba4  1  0.109  0.662  0.255  1.0
  Ba  Ba5  1  0.891  0.338  0.255  1.0
  Ba  Ba6  1  0.609  0.838  0.245  1.0
  Ba  Ba7  1  0.391  0.162  0.245  1.0
  Ba  Ba8  1  0.791  0.086  0.500  1.0
  Ba  Ba9  1  0.209  0.914  0.500  1.0
  Ba  Ba10  1  0.291  0.414  0.000  1.0
  Ba  Ba11  1  0.709  0.586  0.000  1.0
  Ba  Ba12  1  0.236  0.342  0.500  1.0
  Ba  Ba13  1  0.764  0.658  0.500  1.0
  Ba  Ba14  1  0.736  0.158  0.000  1.0
  Ba  Ba15  1  0.264  0.842  0.000  1.0
  U  U16  1  0.500  0.500  0.744  1.0
  U  U17  1  0.000  0.000  0.756  1.0
  U  U18  1  0.500  0.500  0.256  1.0
  U  U19  1  0.000  0.000  0.244  1.0
  Pd  Pd20  1  0.500  0.500  0.500  1.0
  Pd  Pd21  1  0.000  0.000  0.000  1.0
  Se  Se22  1  0.542  0.908  0.500  1.0
  Se  Se23  1  0.458  0.092  0.500  1.0
  Se  Se24  1  0.042  0.592  0.000  1.0
  Se  Se25  1  0.958  0.408  0.000  1.0
  Se  Se26  1  0.915  0.427  0.500  1.0
  Se  Se27  1  0.085  0.573  0.500  1.0
  Se  Se28  1  0.415  0.073  0.000  1.0
  Se  Se29  1  0.585  0.927  0.000  1.0
  Se  Se30  1  0.578  0.350  0.612  1.0
  Se  Se31  1  0.422  0.650  0.612  1.0
  Se  Se32  1  0.078  0.150  0.888  1.0
  Se  Se33  1  0.922  0.850  0.888  1.0
  Se  Se34  1  0.422  0.650  0.388  1.0
  Se  Se35  1  0.578  0.350  0.388  1.0
  Se  Se36  1  0.922  0.850  0.112  1.0
  Se  Se37  1  0.078  0.150  0.112  1.0
  Se  Se38  1  0.586  0.351  0.874  1.0
  Se  Se39  1  0.414  0.649  0.874  1.0
  Se  Se40  1  0.086  0.149  0.626  1.0
  Se  Se41  1  0.914  0.851  0.626  1.0
  Se  Se42  1  0.414  0.649  0.126  1.0
  Se  Se43  1  0.586  0.351  0.126  1.0
  Se  Se44  1  0.914  0.851  0.374  1.0
  Se  Se45  1  0.086  0.149  0.374  1.0
  Se  Se46  1  0.731  0.092  0.751  1.0
  Se  Se47  1  0.269  0.908  0.751  1.0
  Se  Se48  1  0.231  0.408  0.749  1.0
  Se  Se49  1  0.769  0.592  0.749  1.0
  Se  Se50  1  0.269  0.908  0.249  1.0
  Se  Se51  1  0.731  0.092  0.249  1.0
  Se  Se52  1  0.769  0.592  0.251  1.0
  Se  Se53  1  0.231  0.408  0.251  1.0
[/CIF]
.