ThCrS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 8-coordinate geometry to two equivalent S(1) and six equivalent S(2) atoms. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(1) and two equivalent Cr(1) atoms to form distorted corner-sharing STh2Cr2 trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Th(1) and two equivalent Cr(1) atoms.
ThCrS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Th(1) is bonded in a 8-coordinate geometry to two equivalent S(1) and six equivalent S(2) atoms. There is one shorter (2.81 Å) and one longer (2.83 Å) Th(1)-S(1) bond length. There are a spread of Th(1)-S(2) bond distances ranging from 2.86-3.10 Å. Cr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form corner-sharing CrS6 octahedra. The corner-sharing octahedral tilt angles range from 41-44°. Both Cr(1)-S(1) bond lengths are 2.41 Å. There are two shorter (2.44 Å) and two longer (2.75 Å) Cr(1)-S(2) bond lengths. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Th(1) and two equivalent Cr(1) atoms to form distorted corner-sharing STh2Cr2 trigonal pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Th(1) and two equivalent Cr(1) atoms.