CsLiBr2 crystallizes in the tetragonal P4/nmm space group. Cs(1) is bonded in a 5-coordinate geometry to five equivalent Br(1) atoms. Li(1) is bonded in a 5-coordinate geometry to one Br(1) and four equivalent Br(2) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to five equivalent Cs(1) and one Li(1) atom to form a mixture of distorted corner and edge-sharing BrCs5Li octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) atoms.
CsLiBr2 crystallizes in the tetragonal P4/nmm space group. Cs(1) is bonded in a 5-coordinate geometry to five equivalent Br(1) atoms. There is one shorter (3.63 Å) and four longer (3.68 Å) Cs(1)-Br(1) bond lengths. Li(1) is bonded in a 5-coordinate geometry to one Br(1) and four equivalent Br(2) atoms. The Li(1)-Br(1) bond length is 2.50 Å. All Li(1)-Br(2) bond lengths are 2.72 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to five equivalent Cs(1) and one Li(1) atom to form a mixture of distorted corner and edge-sharing BrCs5Li octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to four equivalent Li(1) atoms.