Th2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing ThS7 pentagonal bipyramids. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(2) and three equivalent Th(1) atoms to form a mixture of corner and edge-sharing STh5 square pyramids. In the second S site, S(2) is bonded to two equivalent Th(1) and three equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing STh5 trigonal bipyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Th(1) and two equivalent Th(2) atoms.
Th2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded to two equivalent S(2), two equivalent S(3), and three equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing ThS7 pentagonal bipyramids. Both Th(1)-S(2) bond lengths are 2.91 Å. There is one shorter (2.86 Å) and one longer (2.87 Å) Th(1)-S(3) bond length. All Th(1)-S(1) bond lengths are 2.87 Å. In the second Th site, Th(2) is bonded in a 7-coordinate geometry to two equivalent S(1), two equivalent S(3), and three equivalent S(2) atoms. Both Th(2)-S(1) bond lengths are 2.88 Å. Both Th(2)-S(3) bond lengths are 2.86 Å. There are two shorter (2.93 Å) and one longer (2.96 Å) Th(2)-S(2) bond length. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(2) and three equivalent Th(1) atoms to form a mixture of corner and edge-sharing STh5 square pyramids. In the second S site, S(2) is bonded to two equivalent Th(1) and three equivalent Th(2) atoms to form a mixture of distorted corner and edge-sharing STh5 trigonal bipyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Th(1) and two equivalent Th(2) atoms.