The material described by Li2PdF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Pd(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with eight equivalent Li(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Pd(1) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.591
_cell_length_b   4.595
_cell_length_c   8.974
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.318
_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
  Li  Li0  1  0.000  0.000  0.336  1.0
  Li  Li1  1  0.500  0.500  0.836  1.0
  Li  Li2  1  1.000  1.000  0.664  1.0
  Li  Li3  1  0.500  0.500  0.164  1.0
  Pd  Pd4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.305  0.694  0.661  1.0
  F  F7  1  0.195  0.194  0.839  1.0
  F  F8  1  0.705  0.296  0.000  1.0
  F  F9  1  0.795  0.796  0.500  1.0
  F  F10  1  0.295  0.704  1.000  1.0
  F  F11  1  0.205  0.204  0.500  1.0
  F  F12  1  0.195  0.194  0.161  1.0
  F  F13  1  0.305  0.694  0.339  1.0
  F  F14  1  0.805  0.806  0.839  1.0
  F  F15  1  0.695  0.306  0.661  1.0
  F  F16  1  0.805  0.806  0.161  1.0
  F  F17  1  0.695  0.306  0.339  1.0
[/CIF]
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The material described by Li2PdF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. Li(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form LiF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Pd(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. Pd(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form PdF6 octahedra that share corners with eight equivalent Li(1)F6 octahedra and edges with two equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Pd(1) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Pd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2PdF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.591
_cell_length_b   4.595
_cell_length_c   8.974
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   189.318
_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
  Li  Li0  1  0.000  0.000  0.336  1.0
  Li  Li1  1  0.500  0.500  0.836  1.0
  Li  Li2  1  1.000  1.000  0.664  1.0
  Li  Li3  1  0.500  0.500  0.164  1.0
  Pd  Pd4  1  0.500  0.500  0.500  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  F  F6  1  0.305  0.694  0.661  1.0
  F  F7  1  0.195  0.194  0.839  1.0
  F  F8  1  0.705  0.296  0.000  1.0
  F  F9  1  0.795  0.796  0.500  1.0
  F  F10  1  0.295  0.704  1.000  1.0
  F  F11  1  0.205  0.204  0.500  1.0
  F  F12  1  0.195  0.194  0.161  1.0
  F  F13  1  0.305  0.694  0.339  1.0
  F  F14  1  0.805  0.806  0.839  1.0
  F  F15  1  0.695  0.306  0.661  1.0
  F  F16  1  0.805  0.806  0.161  1.0
  F  F17  1  0.695  0.306  0.339  1.0
[/CIF]
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