Cs2LiGaF6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Ga(1)F6 octahedra, faces with eight equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Li(1)F6 octahedra, and faces with three equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. Li(1) is bonded to six equivalent F(1) atoms to form distorted LiF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Ga(1)F6 octahedra. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Li(1)F6 octahedra. F(1) is bonded in a distorted L-shaped geometry to four equivalent Cs(1), one Li(1), and one Ga(1) atom.
Cs2LiGaF6 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to twelve equivalent F(1) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Li(1)F6 octahedra, corners with three equivalent Ga(1)F6 octahedra, faces with eight equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Li(1)F6 octahedra, and faces with three equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. There are a spread of Cs(1)-F(1) bond distances ranging from 3.20-3.37 Å. Li(1) is bonded to six equivalent F(1) atoms to form distorted LiF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Ga(1)F6 octahedra. All Li(1)-F(1) bond lengths are 2.07 Å. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Li(1)F6 octahedra. All Ga(1)-F(1) bond lengths are 1.93 Å. F(1) is bonded in a distorted L-shaped geometry to four equivalent Cs(1), one Li(1), and one Ga(1) atom.