Materials Data on SbI3 by Materials Project
SbI3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SbI3 sheet oriented in the (1, 0, 0) direction. Sb3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing SbI5 square pyramids. There are a spread of Sb–I bond distances ranging from 2.81–3.52 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Sb3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Sb3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom.
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