The structure described by Rb2KPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent K(1)F6 octahedra, and faces with four equivalent Pd(1)F6 octahedra. K(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra and faces with eight equivalent Rb(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 K(1)F6 octahedra and faces with eight equivalent Rb(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 Rb(1), one K(1), and one Pd(1) atom. In the second F site, F(2) is bonded to four equivalent Rb(1), one K(1), and one Pd(1) atom to form a mixture of distorted edge and corner-sharing FKRb4Pd octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KRb2PdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.539
_cell_angle_alpha   119.212
_cell_angle_beta   119.212
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.801
_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
  K  K0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.750  0.250  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.221  0.221  0.000  1.0
  F  F5  1  0.779  0.779  0.000  1.0
  F  F6  1  0.779  0.221  0.000  1.0
  F  F7  1  0.221  0.779  0.000  1.0
  F  F8  1  0.233  0.233  0.466  1.0
  F  F9  1  0.767  0.767  0.534  1.0
[/CIF]
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The structure described by Rb2KPdF6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded to four equivalent F(2) and eight equivalent F(1) atoms to form RbF12 cuboctahedra that share corners with twelve equivalent Rb(1)F12 cuboctahedra, faces with six equivalent Rb(1)F12 cuboctahedra, faces with four equivalent K(1)F6 octahedra, and faces with four equivalent Pd(1)F6 octahedra. K(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form KF6 octahedra that share corners with six equivalent Pd(1)F6 octahedra and faces with eight equivalent Rb(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 K(1)F6 octahedra and faces with eight equivalent Rb(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 Rb(1), one K(1), and one Pd(1) atom. In the second F site, F(2) is bonded to four equivalent Rb(1), one K(1), and one Pd(1) atom to form a mixture of distorted edge and corner-sharing FKRb4Pd octahedra. The corner-sharing octahedral tilt angles range from 0-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KRb2PdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.383
_cell_length_b   6.383
_cell_length_c   6.539
_cell_angle_alpha   119.212
_cell_angle_beta   119.212
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.801
_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
  K  K0  1  0.500  0.500  0.000  1.0
  Rb  Rb1  1  0.250  0.750  0.500  1.0
  Rb  Rb2  1  0.750  0.250  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.221  0.221  0.000  1.0
  F  F5  1  0.779  0.779  0.000  1.0
  F  F6  1  0.779  0.221  0.000  1.0
  F  F7  1  0.221  0.779  0.000  1.0
  F  F8  1  0.233  0.233  0.466  1.0
  F  F9  1  0.767  0.767  0.534  1.0
[/CIF]
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