La6Sb4O12S3 crystallizes in the tetragonal I-42d space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sb(1) is bonded in a distorted T-shaped geometry to one S(2), one O(1), one O(2), and one O(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(2) and four equivalent La(1) atoms to form SLa6 octahedra that share corners with four equivalent O(1)La3Sb tetrahedra, corners with four equivalent O(2)La3Sb tetrahedra, corners with four equivalent O(3)La3Sb tetrahedra, edges with four equivalent O(1)La3Sb tetrahedra, edges with four equivalent O(2)La3Sb tetrahedra, and edges with four equivalent O(3)La3Sb tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sb(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one La(2), two equivalent La(1), and one Sb(1) atom to form OLa3Sb tetrahedra that share  a cornercorner with one S(1)La6 octahedra, corners with three equivalent O(1)La3Sb tetrahedra, corners with three equivalent O(2)La3Sb tetrahedra, corners with three equivalent O(3)La3Sb tetrahedra,  an edgeedge with one S(1)La6 octahedra, edges with two equivalent O(2)La3Sb tetrahedra, and edges with two equivalent O(3)La3Sb tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second O site, O(2) is bonded to one La(2), two equivalent La(1), and one Sb(1) atom to form OLa3Sb tetrahedra that share  a cornercorner with one S(1)La6 octahedra,  a cornercorner with one O(2)La3Sb tetrahedra, corners with three equivalent O(1)La3Sb tetrahedra, corners with five equivalent O(3)La3Sb tetrahedra,  an edgeedge with one S(1)La6 octahedra,  an edgeedge with one O(2)La3Sb tetrahedra,  an edgeedge with one O(3)La3Sb tetrahedra, and edges with two equivalent O(1)La3Sb tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the third O site, O(3) is bonded to one La(2), two equivalent La(1), and one Sb(1) atom to form OLa3Sb tetrahedra that share  a cornercorner with one S(1)La6 octahedra,  a cornercorner with one O(3)La3Sb tetrahedra, corners with three equivalent O(1)La3Sb tetrahedra, corners with five equivalent O(2)La3Sb tetrahedra,  an edgeedge with one S(1)La6 octahedra,  an edgeedge with one O(2)La3Sb tetrahedra,  an edgeedge with one O(3)La3Sb tetrahedra, and edges with two equivalent O(1)La3Sb tetrahedra. The corner-sharing octahedral tilt angles are 58°.
La6Sb4O12S3 crystallizes in the tetragonal I-42d space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one S(1), one S(2), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The La(1)-S(1) bond length is 3.05 Å. The La(1)-S(2) bond length is 3.57 Å. There is one shorter (2.54 Å) and one longer (2.56 Å) La(1)-O(1) bond length. There is one shorter (2.41 Å) and one longer (2.55 Å) La(1)-O(2) bond length. There is one shorter (2.40 Å) and one longer (2.55 Å) La(1)-O(3) bond length. In the second La site, La(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The La(2)-S(1) bond length is 3.04 Å. Both La(2)-O(1) bond lengths are 2.41 Å. Both La(2)-O(2) bond lengths are 2.52 Å. Both La(2)-O(3) bond lengths are 2.56 Å. Sb(1) is bonded in a distorted T-shaped geometry to one S(2), one O(1), one O(2), and one O(3) atom. The Sb(1)-S(2) bond length is 3.19 Å. The Sb(1)-O(1) bond length is 2.04 Å. The Sb(1)-O(2) bond length is 2.03 Å. The Sb(1)-O(3) bond length is 2.06 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(2) and four equivalent La(1) atoms to form SLa6 octahedra that share corners with four equivalent O(1)La3Sb tetrahedra, corners with four equivalent O(2)La3Sb tetrahedra, corners with four equivalent O(3)La3Sb tetrahedra, edges with four equivalent O(1)La3Sb tetrahedra, edges with four equivalent O(2)La3Sb tetrahedra, and edges with four equivalent O(3)La3Sb tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Sb(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one La(2), two equivalent La(1), and one Sb(1) atom to form OLa3Sb tetrahedra that share  a cornercorner with one S(1)La6 octahedra, corners with three equivalent O(1)La3Sb tetrahedra, corners with three equivalent O(2)La3Sb tetrahedra, corners with three equivalent O(3)La3Sb tetrahedra,  an edgeedge with one S(1)La6 octahedra, edges with two equivalent O(2)La3Sb tetrahedra, and edges with two equivalent O(3)La3Sb tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the second O site, O(2) is bonded to one La(2), two equivalent La(1), and one Sb(1) atom to form OLa3Sb tetrahedra that share  a cornercorner with one S(1)La6 octahedra,  a cornercorner with one O(2)La3Sb tetrahedra, corners with three equivalent O(1)La3Sb tetrahedra, corners with five equivalent O(3)La3Sb tetrahedra,  an edgeedge with one S(1)La6 octahedra,  an edgeedge with one O(2)La3Sb tetrahedra,  an edgeedge with one O(3)La3Sb tetrahedra, and edges with two equivalent O(1)La3Sb tetrahedra. The corner-sharing octahedral tilt angles are 58°. In the third O site, O(3) is bonded to one La(2), two equivalent La(1), and one Sb(1) atom to form OLa3Sb tetrahedra that share  a cornercorner with one S(1)La6 octahedra,  a cornercorner with one O(3)La3Sb tetrahedra, corners with three equivalent O(1)La3Sb tetrahedra, corners with five equivalent O(2)La3Sb tetrahedra,  an edgeedge with one S(1)La6 octahedra,  an edgeedge with one O(2)La3Sb tetrahedra,  an edgeedge with one O(3)La3Sb tetrahedra, and edges with two equivalent O(1)La3Sb tetrahedra. The corner-sharing octahedral tilt angles are 58°.