CsLi2BS3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent B(1), one S(2), and eight equivalent S(1) atoms. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. B(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), two equivalent Li(1), and one B(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Li(1), and one B(1) atom.
CsLi2BS3 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 11-coordinate geometry to two equivalent B(1), one S(2), and eight equivalent S(1) atoms. There is one shorter (3.73 Å) and one longer (3.74 Å) Cs(1)-B(1) bond length. The Cs(1)-S(2) bond length is 3.52 Å. There are a spread of Cs(1)-S(1) bond distances ranging from 3.73-3.95 Å. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form a mixture of distorted corner and edge-sharing LiS4 tetrahedra. There is one shorter (2.40 Å) and one longer (2.45 Å) Li(1)-S(1) bond length. There is one shorter (2.47 Å) and one longer (2.52 Å) Li(1)-S(2) bond length. B(1) is bonded in a trigonal planar geometry to two equivalent Cs(1), one S(2), and two equivalent S(1) atoms. The B(1)-S(2) bond length is 1.85 Å. Both B(1)-S(1) bond lengths are 1.82 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), two equivalent Li(1), and one B(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Li(1), and one B(1) atom.