The material described by Rb2PdHgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve 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 Pd(1)F6 octahedra, and faces with four equivalent Hg(1)F6 octahedra. Pd(1) is bonded to six equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 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. F(1) is bonded to four equivalent Rb(1), one Pd(1), and one Hg(1) atom to form a mixture of distorted face, corner, and edge-sharing FRb4HgPd octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2HgPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.372
_cell_length_b   6.372
_cell_length_c   6.372
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   182.959
_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
  Rb  Rb0  1  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Hg  Hg2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.757  0.243  0.243  1.0
  F  F5  1  0.243  0.243  0.757  1.0
  F  F6  1  0.243  0.757  0.757  1.0
  F  F7  1  0.243  0.757  0.243  1.0
  F  F8  1  0.757  0.243  0.757  1.0
  F  F9  1  0.757  0.757  0.243  1.0
[/CIF]
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The material described by Rb2PdHgF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Rb(1) is bonded to twelve 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 Pd(1)F6 octahedra, and faces with four equivalent Hg(1)F6 octahedra. Pd(1) is bonded to six equivalent F(1) atoms to form PdF6 octahedra that share corners with six equivalent Hg(1)F6 octahedra and faces with eight equivalent Rb(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. Hg(1) is bonded to six equivalent F(1) atoms to form HgF6 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. F(1) is bonded to four equivalent Rb(1), one Pd(1), and one Hg(1) atom to form a mixture of distorted face, corner, and edge-sharing FRb4HgPd octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2HgPdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.372
_cell_length_b   6.372
_cell_length_c   6.372
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   182.959
_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
  Rb  Rb0  1  0.750  0.750  0.750  1.0
  Rb  Rb1  1  0.250  0.250  0.250  1.0
  Hg  Hg2  1  0.500  0.500  0.500  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.757  0.243  0.243  1.0
  F  F5  1  0.243  0.243  0.757  1.0
  F  F6  1  0.243  0.757  0.757  1.0
  F  F7  1  0.243  0.757  0.243  1.0
  F  F8  1  0.757  0.243  0.757  1.0
  F  F9  1  0.757  0.757  0.243  1.0
[/CIF]
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