Materials Data on Sn3Ir2S3 by Materials Project
Ir2Sn3S3 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ir is bonded to three equivalent Sn and three equivalent S atoms to form distorted corner-sharing IrSn3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–62°. All Ir–Sn bond lengths are 2.72 Å. All Ir–S bond lengths are 2.32 Å. Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Sn atoms. There are one shorter (2.87 Å) and one longer (3.11 Å) Sn–Sn bond lengths. S is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir and one S atom. The S–S bond length is 2.29 Å.
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