La3TiAlS7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. Ti(1) is bonded to six equivalent S(1) atoms to form face-sharing TiS6 octahedra. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent La(1) and two equivalent Ti(1) atoms to form distorted SLa4Ti2 pentagonal pyramids that share corners with four equivalent S(1)La4Ti2 pentagonal pyramids, corners with four equivalent S(3)La3Al tetrahedra, and faces with six equivalent S(1)La4Ti2 pentagonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent La(1) and one Al(1) atom to form corner-sharing SLa3Al tetrahedra.
La3TiAlS7 crystallizes in the hexagonal P6_3 space group. La(1) is bonded in a 8-coordinate geometry to one S(3), three equivalent S(2), and four equivalent S(1) atoms. The La(1)-S(3) bond length is 2.97 Å. There are a spread of La(1)-S(2) bond distances ranging from 2.88-2.98 Å. There are a spread of La(1)-S(1) bond distances ranging from 2.98-3.26 Å. Ti(1) is bonded to six equivalent S(1) atoms to form face-sharing TiS6 octahedra. There are three shorter (2.55 Å) and three longer (2.56 Å) Ti(1)-S(1) bond lengths. Al(1) is bonded in a tetrahedral geometry to one S(3) and three equivalent S(2) atoms. The Al(1)-S(3) bond length is 2.20 Å. All Al(1)-S(2) bond lengths are 2.26 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to four equivalent La(1) and two equivalent Ti(1) atoms to form distorted SLa4Ti2 pentagonal pyramids that share corners with four equivalent S(1)La4Ti2 pentagonal pyramids, corners with four equivalent S(3)La3Al tetrahedra, and faces with six equivalent S(1)La4Ti2 pentagonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent La(1) and one Al(1) atom. In the third S site, S(3) is bonded to three equivalent La(1) and one Al(1) atom to form corner-sharing SLa3Al tetrahedra.