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DOE OSTI · 1264664

Materials Data on SeCl4 by Materials Project

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Abstract

SeCl4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four SeCl4 clusters. there are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded to six Cl1- atoms to form edge-sharing SeCl6 octahedra. There are a spread of Se–Cl bond distances ranging from 2.22–2.80 Å. In the second Se4+ site, Se4+ is bonded to six Cl1- atoms to form distorted edge-sharing SeCl6 octahedra. There are a spread of Se–Cl bond distances ranging from 2.21–2.84 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Se4+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the eighth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Se4+ atoms.

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36 MATERIALS SCIENCECl-Secrystal structureSeCl4

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2020-04-29. Materials Data on SeCl4 by Materials Project. https://doi.org/10.17188/1264664

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