The structure described by Cs2RbPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Rb(1)F6 octahedra, and faces with four equivalent Pd(1)F6 octahedra. Rb(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Rb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Rb(1), and one Pd(1) atom. In the second F site, F(2) is bonded to four equivalent Cs(1), one Rb(1), and one Pd(1) atom to form a mixture of distorted corner and edge-sharing FCs4RbPd octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Cs2RbPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.613
_cell_length_b   6.613
_cell_length_c   6.786
_cell_angle_alpha   119.159
_cell_angle_beta   119.159
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.047
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.250  0.750  0.500  1.0
  Cs  Cs1  1  0.750  0.250  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.214  0.214  0.000  1.0
  F  F5  1  0.786  0.786  0.000  1.0
  F  F6  1  0.786  0.214  0.000  1.0
  F  F7  1  0.214  0.786  0.000  1.0
  F  F8  1  0.227  0.227  0.454  1.0
  F  F9  1  0.773  0.773  0.546  1.0
[/CIF]
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The structure described by Cs2RbPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, faces with four equivalent Rb(1)F6 octahedra, and faces with four equivalent Pd(1)F6 octahedra. Rb(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form RbF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Rb(1)F6 octahedra and faces with eight equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to four equivalent Cs(1), one Rb(1), and one Pd(1) atom. In the second F site, F(2) is bonded to four equivalent Cs(1), one Rb(1), and one Pd(1) atom to form a mixture of distorted corner and edge-sharing FCs4RbPd octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Cs2RbPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.613
_cell_length_b   6.613
_cell_length_c   6.786
_cell_angle_alpha   119.159
_cell_angle_beta   119.159
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   215.047
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.250  0.750  0.500  1.0
  Cs  Cs1  1  0.750  0.250  0.500  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.214  0.214  0.000  1.0
  F  F5  1  0.786  0.786  0.000  1.0
  F  F6  1  0.786  0.214  0.000  1.0
  F  F7  1  0.214  0.786  0.000  1.0
  F  F8  1  0.227  0.227  0.454  1.0
  F  F9  1  0.773  0.773  0.546  1.0
[/CIF]
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