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Materials Data on AlSbI6 by Materials Project

AlSbI6 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two AlSbI6 clusters. Al3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Al–I bond distances ranging from 2.50–2.62 Å. Sb3+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of Sb–I bond distances ranging from 2.76–3.60 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to one Al3+ and one Sb3+ atom. In the third I1- site, I1- is bonded in a distorted single-bond geometry to one Al3+ and two equivalent Sb3+ atoms. In the fourth I1- site, I1- is bonded in a single-bond geometry to one Al3+ atom.

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