CsPdAlF6 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 12-coordinate geometry to one F(4), three equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. Pd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form PdF6 octahedra that share corners with two equivalent Pd(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 16-48°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Pd(1), and one Al(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Pd(1), and one Al(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to three equivalent Cs(1) and two equivalent Pd(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Cs(1) and two equivalent Al(1) atoms.
CsPdAlF6 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 12-coordinate geometry to one F(4), three equivalent F(3), four equivalent F(1), and four equivalent F(2) atoms. The Cs(1)-F(4) bond length is 3.51 Å. There is one shorter (3.02 Å) and two longer (3.64 Å) Cs(1)-F(3) bond lengths. There are two shorter (3.20 Å) and two longer (3.47 Å) Cs(1)-F(1) bond lengths. There are two shorter (3.19 Å) and two longer (3.36 Å) Cs(1)-F(2) bond lengths. Pd(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form PdF6 octahedra that share corners with two equivalent Pd(1)F6 octahedra and corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. Both Pd(1)-F(1) bond lengths are 2.23 Å. Both Pd(1)-F(2) bond lengths are 2.23 Å. Both Pd(1)-F(3) bond lengths are 2.18 Å. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Pd(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 16-48°. Both Al(1)-F(1) bond lengths are 1.82 Å. Both Al(1)-F(2) bond lengths are 1.82 Å. Both Al(1)-F(4) bond lengths are 1.84 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Pd(1), and one Al(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one Pd(1), and one Al(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to three equivalent Cs(1) and two equivalent Pd(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Cs(1) and two equivalent Al(1) atoms.