The crystal structure described by Rb2PdSe16 crystallizes in the tetragonal P-4b2 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent Se(1), four equivalent Se(2), and four equivalent Se(4) atoms to form distorted RbSe12 cuboctahedra that share corners with four equivalent Pd(1)Rb2Se4 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Rb site, Rb(2) is bonded in a linear geometry to two equivalent Pd(1) atoms. Pd(1) is bonded to two equivalent Rb(2) and four equivalent Se(2) atoms to form PdRb2Se4 octahedra that share corners with four equivalent Rb(1)Se12 cuboctahedra and corners with two equivalent Pd(1)Rb2Se4 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Rb(1), one Se(1), and one Se(4) atom. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to one Rb(1), one Pd(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a water-like geometry to one Se(2) and one Se(3) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Rb(1), one Se(1), and one Se(4) atom. is represented by the CIF file [CIF]
data_Rb2PdSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.824
_cell_length_b   12.824
_cell_length_c   7.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1157.538
_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
  Rb  Rb0  1  0.500  0.000  0.000  1.0
  Rb  Rb1  1  0.000  0.500  0.000  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Rb  Rb3  1  0.000  0.000  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
  Se  Se6  1  0.191  0.422  0.587  1.0
  Se  Se7  1  0.809  0.578  0.587  1.0
  Se  Se8  1  0.578  0.191  0.413  1.0
  Se  Se9  1  0.422  0.809  0.413  1.0
  Se  Se10  1  0.309  0.922  0.587  1.0
  Se  Se11  1  0.078  0.309  0.413  1.0
  Se  Se12  1  0.813  0.966  0.967  1.0
  Se  Se13  1  0.034  0.813  0.033  1.0
  Se  Se14  1  0.966  0.187  0.033  1.0
  Se  Se15  1  0.187  0.034  0.967  1.0
  Se  Se16  1  0.534  0.687  0.033  1.0
  Se  Se17  1  0.466  0.313  0.033  1.0
  Se  Se18  1  0.687  0.466  0.967  1.0
  Se  Se19  1  0.313  0.534  0.967  1.0
  Se  Se20  1  0.790  0.204  0.128  1.0
  Se  Se21  1  0.796  0.790  0.872  1.0
  Se  Se22  1  0.204  0.210  0.872  1.0
  Se  Se23  1  0.210  0.796  0.128  1.0
  Se  Se24  1  0.296  0.710  0.872  1.0
  Se  Se25  1  0.704  0.290  0.872  1.0
  Se  Se26  1  0.710  0.704  0.128  1.0
  Se  Se27  1  0.290  0.296  0.128  1.0
  Se  Se28  1  0.920  0.309  0.589  1.0
  Se  Se29  1  0.691  0.920  0.411  1.0
  Se  Se30  1  0.309  0.080  0.411  1.0
  Se  Se31  1  0.080  0.691  0.589  1.0
  Se  Se32  1  0.191  0.580  0.411  1.0
  Se  Se33  1  0.809  0.420  0.411  1.0
  Se  Se34  1  0.580  0.809  0.589  1.0
  Se  Se35  1  0.420  0.191  0.589  1.0
  Se  Se36  1  0.691  0.078  0.587  1.0
  Se  Se37  1  0.922  0.691  0.413  1.0
[/CIF]
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The crystal structure described by Rb2PdSe16 crystallizes in the tetragonal P-4b2 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to four equivalent Se(1), four equivalent Se(2), and four equivalent Se(4) atoms to form distorted RbSe12 cuboctahedra that share corners with four equivalent Pd(1)Rb2Se4 octahedra. The corner-sharing octahedral tilt angles are 19°. In the second Rb site, Rb(2) is bonded in a linear geometry to two equivalent Pd(1) atoms. Pd(1) is bonded to two equivalent Rb(2) and four equivalent Se(2) atoms to form PdRb2Se4 octahedra that share corners with four equivalent Rb(1)Se12 cuboctahedra and corners with two equivalent Pd(1)Rb2Se4 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Rb(1), one Se(1), and one Se(4) atom. In the second Se site, Se(2) is bonded in a 1-coordinate geometry to one Rb(1), one Pd(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a water-like geometry to one Se(2) and one Se(3) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Rb(1), one Se(1), and one Se(4) atom. is represented by the CIF file [CIF]
data_Rb2PdSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.824
_cell_length_b   12.824
_cell_length_c   7.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1157.538
_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
  Rb  Rb0  1  0.500  0.000  0.000  1.0
  Rb  Rb1  1  0.000  0.500  0.000  1.0
  Rb  Rb2  1  0.500  0.500  0.500  1.0
  Rb  Rb3  1  0.000  0.000  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
  Pd  Pd5  1  0.500  0.500  0.000  1.0
  Se  Se6  1  0.191  0.422  0.587  1.0
  Se  Se7  1  0.809  0.578  0.587  1.0
  Se  Se8  1  0.578  0.191  0.413  1.0
  Se  Se9  1  0.422  0.809  0.413  1.0
  Se  Se10  1  0.309  0.922  0.587  1.0
  Se  Se11  1  0.078  0.309  0.413  1.0
  Se  Se12  1  0.813  0.966  0.967  1.0
  Se  Se13  1  0.034  0.813  0.033  1.0
  Se  Se14  1  0.966  0.187  0.033  1.0
  Se  Se15  1  0.187  0.034  0.967  1.0
  Se  Se16  1  0.534  0.687  0.033  1.0
  Se  Se17  1  0.466  0.313  0.033  1.0
  Se  Se18  1  0.687  0.466  0.967  1.0
  Se  Se19  1  0.313  0.534  0.967  1.0
  Se  Se20  1  0.790  0.204  0.128  1.0
  Se  Se21  1  0.796  0.790  0.872  1.0
  Se  Se22  1  0.204  0.210  0.872  1.0
  Se  Se23  1  0.210  0.796  0.128  1.0
  Se  Se24  1  0.296  0.710  0.872  1.0
  Se  Se25  1  0.704  0.290  0.872  1.0
  Se  Se26  1  0.710  0.704  0.128  1.0
  Se  Se27  1  0.290  0.296  0.128  1.0
  Se  Se28  1  0.920  0.309  0.589  1.0
  Se  Se29  1  0.691  0.920  0.411  1.0
  Se  Se30  1  0.309  0.080  0.411  1.0
  Se  Se31  1  0.080  0.691  0.589  1.0
  Se  Se32  1  0.191  0.580  0.411  1.0
  Se  Se33  1  0.809  0.420  0.411  1.0
  Se  Se34  1  0.580  0.809  0.589  1.0
  Se  Se35  1  0.420  0.191  0.589  1.0
  Se  Se36  1  0.691  0.078  0.587  1.0
  Se  Se37  1  0.922  0.691  0.413  1.0
[/CIF]
.