Materials Data on Ir3S8 by Materials Project
Ir3S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir5+ is bonded to six S+1.88- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–S bond distances ranging from 2.36–2.41 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir5+ and one S+1.88- atom. The S–S bond length is 2.15 Å. In the second S+1.88- site, S+1.88- is bonded in a 3-coordinate geometry to three equivalent Ir5+ atoms.
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