The compound described by Pd8Hg3Se9 crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Hg(1), one Se(2), and four equivalent Se(1) atoms to form distorted PdHgSe5 octahedra that share corners with eight equivalent Pd(2)Hg2Se4 octahedra,  a cornercorner with one Se(2)HgPd3 tetrahedra, and edges with two equivalent Pd(1)HgSe5 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the second Pd site, Pd(2) is bonded to one Hg(1), one Hg(2), one Se(1), one Se(2), one Se(3), and one Se(4) atom to form distorted PdHg2Se4 octahedra that share corners with two equivalent Pd(2)Hg2Se4 octahedra, corners with four equivalent Pd(1)HgSe5 octahedra,  a cornercorner with one Se(2)HgPd3 tetrahedra, edges with two equivalent Pd(2)Hg2Se4 octahedra, and  a faceface with one Pd(2)Hg2Se4 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to one Hg(1), one Se(4), two equivalent Se(1), and two equivalent Se(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), and one Se(2) atom. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to four equivalent Pd(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Pd(2) and two equivalent Pd(3) atoms. In the second Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Pd(3) and four equivalent Pd(2) atoms. In the third Se site, Se(1) is bonded to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms to form distorted SePd4 trigonal pyramids that share corners with three equivalent Se(2)HgPd3 tetrahedra, corners with three equivalent Se(1)Pd4 trigonal pyramids, and edges with two equivalent Se(1)Pd4 trigonal pyramids. In the fourth Se site, Se(2) is bonded to one Pd(1), two equivalent Pd(2), and one Hg(1) atom to form SeHgPd3 tetrahedra that share  a cornercorner with one Pd(1)HgSe5 octahedra, corners with two equivalent Pd(2)Hg2Se4 octahedra, and corners with six equivalent Se(1)Pd4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 69-76°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3Pd8Se9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.555
_cell_length_b   7.278
_cell_length_c   16.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   810.417
_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
  Hg  Hg0  1  0.123  0.500  0.295  1.0
  Hg  Hg1  1  0.123  0.500  0.705  1.0
  Hg  Hg2  1  0.877  0.000  0.205  1.0
  Hg  Hg3  1  0.877  0.000  0.795  1.0
  Hg  Hg4  1  0.289  0.500  0.000  1.0
  Hg  Hg5  1  0.711  0.000  0.500  1.0
  Pd  Pd6  1  0.531  0.500  0.763  1.0
  Pd  Pd7  1  0.531  0.500  0.237  1.0
  Pd  Pd8  1  0.469  0.000  0.737  1.0
  Pd  Pd9  1  0.469  0.000  0.263  1.0
  Pd  Pd10  1  0.959  0.262  0.411  1.0
  Pd  Pd11  1  0.959  0.738  0.411  1.0
  Pd  Pd12  1  0.959  0.262  0.589  1.0
  Pd  Pd13  1  0.959  0.738  0.589  1.0
  Pd  Pd14  1  0.041  0.238  0.089  1.0
  Pd  Pd15  1  0.041  0.762  0.089  1.0
  Pd  Pd16  1  0.041  0.238  0.911  1.0
  Pd  Pd17  1  0.041  0.762  0.911  1.0
  Pd  Pd18  1  0.396  0.500  0.415  1.0
  Pd  Pd19  1  0.396  0.500  0.585  1.0
  Pd  Pd20  1  0.604  0.000  0.085  1.0
  Pd  Pd21  1  0.604  0.000  0.915  1.0
  Se  Se22  1  0.613  0.266  0.340  1.0
  Se  Se23  1  0.613  0.734  0.340  1.0
  Se  Se24  1  0.613  0.266  0.660  1.0
  Se  Se25  1  0.613  0.734  0.660  1.0
  Se  Se26  1  0.387  0.234  0.160  1.0
  Se  Se27  1  0.387  0.766  0.160  1.0
  Se  Se28  1  0.387  0.234  0.840  1.0
  Se  Se29  1  0.387  0.766  0.840  1.0
  Se  Se30  1  0.898  0.500  0.833  1.0
  Se  Se31  1  0.898  0.500  0.167  1.0
  Se  Se32  1  0.102  0.000  0.667  1.0
  Se  Se33  1  0.102  0.000  0.333  1.0
  Se  Se34  1  0.263  0.755  0.500  1.0
  Se  Se35  1  0.263  0.245  0.500  1.0
  Se  Se36  1  0.737  0.745  0.000  1.0
  Se  Se37  1  0.737  0.255  0.000  1.0
  Se  Se38  1  0.805  0.500  0.500  1.0
  Se  Se39  1  0.195  0.000  0.000  1.0
[/CIF]
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The compound described by Pd8Hg3Se9 crystallizes in the orthorhombic Pmmn space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Hg(1), one Se(2), and four equivalent Se(1) atoms to form distorted PdHgSe5 octahedra that share corners with eight equivalent Pd(2)Hg2Se4 octahedra,  a cornercorner with one Se(2)HgPd3 tetrahedra, and edges with two equivalent Pd(1)HgSe5 octahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the second Pd site, Pd(2) is bonded to one Hg(1), one Hg(2), one Se(1), one Se(2), one Se(3), and one Se(4) atom to form distorted PdHg2Se4 octahedra that share corners with two equivalent Pd(2)Hg2Se4 octahedra, corners with four equivalent Pd(1)HgSe5 octahedra,  a cornercorner with one Se(2)HgPd3 tetrahedra, edges with two equivalent Pd(2)Hg2Se4 octahedra, and  a faceface with one Pd(2)Hg2Se4 octahedra. The corner-sharing octahedral tilt angles range from 47-67°. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to one Hg(1), one Se(4), two equivalent Se(1), and two equivalent Se(3) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Pd(1), one Pd(3), two equivalent Pd(2), and one Se(2) atom. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to four equivalent Pd(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a 4-coordinate geometry to two equivalent Pd(2) and two equivalent Pd(3) atoms. In the second Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Pd(3) and four equivalent Pd(2) atoms. In the third Se site, Se(1) is bonded to one Pd(2), one Pd(3), and two equivalent Pd(1) atoms to form distorted SePd4 trigonal pyramids that share corners with three equivalent Se(2)HgPd3 tetrahedra, corners with three equivalent Se(1)Pd4 trigonal pyramids, and edges with two equivalent Se(1)Pd4 trigonal pyramids. In the fourth Se site, Se(2) is bonded to one Pd(1), two equivalent Pd(2), and one Hg(1) atom to form SeHgPd3 tetrahedra that share  a cornercorner with one Pd(1)HgSe5 octahedra, corners with two equivalent Pd(2)Hg2Se4 octahedra, and corners with six equivalent Se(1)Pd4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 69-76°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3Pd8Se9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.555
_cell_length_b   7.278
_cell_length_c   16.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   810.417
_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
  Hg  Hg0  1  0.123  0.500  0.295  1.0
  Hg  Hg1  1  0.123  0.500  0.705  1.0
  Hg  Hg2  1  0.877  0.000  0.205  1.0
  Hg  Hg3  1  0.877  0.000  0.795  1.0
  Hg  Hg4  1  0.289  0.500  0.000  1.0
  Hg  Hg5  1  0.711  0.000  0.500  1.0
  Pd  Pd6  1  0.531  0.500  0.763  1.0
  Pd  Pd7  1  0.531  0.500  0.237  1.0
  Pd  Pd8  1  0.469  0.000  0.737  1.0
  Pd  Pd9  1  0.469  0.000  0.263  1.0
  Pd  Pd10  1  0.959  0.262  0.411  1.0
  Pd  Pd11  1  0.959  0.738  0.411  1.0
  Pd  Pd12  1  0.959  0.262  0.589  1.0
  Pd  Pd13  1  0.959  0.738  0.589  1.0
  Pd  Pd14  1  0.041  0.238  0.089  1.0
  Pd  Pd15  1  0.041  0.762  0.089  1.0
  Pd  Pd16  1  0.041  0.238  0.911  1.0
  Pd  Pd17  1  0.041  0.762  0.911  1.0
  Pd  Pd18  1  0.396  0.500  0.415  1.0
  Pd  Pd19  1  0.396  0.500  0.585  1.0
  Pd  Pd20  1  0.604  0.000  0.085  1.0
  Pd  Pd21  1  0.604  0.000  0.915  1.0
  Se  Se22  1  0.613  0.266  0.340  1.0
  Se  Se23  1  0.613  0.734  0.340  1.0
  Se  Se24  1  0.613  0.266  0.660  1.0
  Se  Se25  1  0.613  0.734  0.660  1.0
  Se  Se26  1  0.387  0.234  0.160  1.0
  Se  Se27  1  0.387  0.766  0.160  1.0
  Se  Se28  1  0.387  0.234  0.840  1.0
  Se  Se29  1  0.387  0.766  0.840  1.0
  Se  Se30  1  0.898  0.500  0.833  1.0
  Se  Se31  1  0.898  0.500  0.167  1.0
  Se  Se32  1  0.102  0.000  0.667  1.0
  Se  Se33  1  0.102  0.000  0.333  1.0
  Se  Se34  1  0.263  0.755  0.500  1.0
  Se  Se35  1  0.263  0.245  0.500  1.0
  Se  Se36  1  0.737  0.745  0.000  1.0
  Se  Se37  1  0.737  0.255  0.000  1.0
  Se  Se38  1  0.805  0.500  0.500  1.0
  Se  Se39  1  0.195  0.000  0.000  1.0
[/CIF]
.