LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and corners with eight equivalent Al(1)S4 tetrahedra. Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form AlS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with eight equivalent Li(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra.
LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and corners with eight equivalent Al(1)S4 tetrahedra. Both Li(1)-S(1) bond lengths are 2.43 Å. There is one shorter (2.44 Å) and one longer (2.45 Å) Li(1)-S(2) bond length. Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form AlS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with eight equivalent Li(1)S4 tetrahedra. There is one shorter (2.25 Å) and one longer (2.26 Å) Al(1)-S(1) bond length. Both Al(1)-S(2) bond lengths are 2.26 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra.