Materials Data on AsCl3O by Materials Project
AsOCl3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two AsOCl3 clusters. As5+ is bonded to two equivalent O2- and three Cl1- atoms to form edge-sharing AsCl3O2 trigonal bipyramids. There is one shorter (1.77 Å) and one longer (1.93 Å) As–O bond length. There are a spread of As–Cl bond distances ranging from 2.16–2.22 Å. O2- is bonded in a water-like geometry to two equivalent As5+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one As5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one As5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one As5+ atom.
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