Li2ZrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. Zr(1) is bonded to six equivalent F(1) atoms to form ZrF6 octahedra that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Zr(1) atom.
Li2ZrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li(1)-F(1) bond lengths are 1.99 Å. Zr(1) is bonded to six equivalent F(1) atoms to form ZrF6 octahedra that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Zr(1)-F(1) bond lengths are 2.03 Å. F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Zr(1) atom.