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DOE OSTI · 1199575

Materials Data on SbI3Cl8 by Materials Project

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Abstract

Sb(ICl4)2I is alpha Niobium phosphide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydriodic acid molecule and one Sb(ICl4)2 cluster. In the Sb(ICl4)2 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.51 Å. I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.82 Å) I–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one I1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

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36 MATERIALS SCIENCECl-I-Sbcrystal structureSbI3Cl8

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2020-07-14. Materials Data on SbI3Cl8 by Materials Project. https://doi.org/10.17188/1199575

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