K2NaAlH6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent H(1) atoms to form KH12 cuboctahedra that share corners with twelve equivalent K(1)H12 cuboctahedra, faces with six equivalent K(1)H12 cuboctahedra, faces with four equivalent Na(1)H6 octahedra, and faces with four equivalent Al(1)H6 octahedra. Na(1) is bonded to six equivalent H(1) atoms to form NaH6 octahedra that share corners with six equivalent Al(1)H6 octahedra and faces with eight equivalent K(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share corners with six equivalent Na(1)H6 octahedra and faces with eight equivalent K(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. H(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Al(1) atom.
K2NaAlH6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent H(1) atoms to form KH12 cuboctahedra that share corners with twelve equivalent K(1)H12 cuboctahedra, faces with six equivalent K(1)H12 cuboctahedra, faces with four equivalent Na(1)H6 octahedra, and faces with four equivalent Al(1)H6 octahedra. All K(1)-H(1) bond lengths are 2.85 Å. Na(1) is bonded to six equivalent H(1) atoms to form NaH6 octahedra that share corners with six equivalent Al(1)H6 octahedra and faces with eight equivalent K(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. All Na(1)-H(1) bond lengths are 2.25 Å. Al(1) is bonded to six equivalent H(1) atoms to form AlH6 octahedra that share corners with six equivalent Na(1)H6 octahedra and faces with eight equivalent K(1)H12 cuboctahedra. The corner-sharing octahedra are not tilted. All Al(1)-H(1) bond lengths are 1.76 Å. H(1) is bonded in a distorted linear geometry to four equivalent K(1), one Na(1), and one Al(1) atom.