Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. Ir(1) is bonded to three equivalent Sn(1) and three equivalent S(1) atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Sn(1) atoms. S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one S(1) atom.
Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. Ir(1) is bonded to three equivalent Sn(1) and three equivalent S(1) atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. All Ir(1)-Sn(1) bond lengths are 2.72 Å. All Ir(1)-S(1) bond lengths are 2.32 Å. Sn(1) is bonded in a 4-coordinate geometry to two equivalent Ir(1) and two equivalent Sn(1) atoms. There is one shorter (2.87 Å) and one longer (3.11 Å) Sn(1)-Sn(1) bond length. S(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir(1) and one S(1) atom. The S(1)-S(1) bond length is 2.29 Å.