Materials Data on PtI3 by Materials Project
PtI3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six I atoms to form a mixture of corner and edge-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Pt–I bond distances ranging from 2.68–2.78 Å. In the second Pt site, Pt is bonded to six I atoms to form a mixture of corner and edge-sharing PtI6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Pt–I bond distances ranging from 2.64–3.24 Å. There are three inequivalent I sites. In the first I site, I is bonded in a linear geometry to two Pt atoms. In the second I site, I is bonded in an L-shaped geometry to two Pt atoms. In the third I site, I is bonded in an L-shaped geometry to two Pt atoms.