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.
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°. Both Li(1)-F(2) bond lengths are 1.98 Å. There are two shorter (1.98 Å) and two longer (2.02 Å) Li(1)-F(1) bond lengths. 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°. Both Pd(1)-F(2) bond lengths are 1.92 Å. All Pd(1)-F(1) bond lengths are 1.92 Å. 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.