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DOE OSTI · 1685916

Materials Data on AsCClO2F3 by Materials Project

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Abstract

CF3AsO2Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two AsO2Cl clusters. In each AsO2Cl cluster, As5+ is bonded in a distorted see-saw-like geometry to three O2- and one Cl1- atom. There are a spread of As–O bond distances ranging from 1.73–1.90 Å. The As–Cl bond length is 2.31 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to two equivalent As5+ atoms. Cl1- is bonded in a 1-coordinate geometry to one As5+ atom.

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36 MATERIALS SCIENCEAs-C-Cl-F-OAsCClO2F3crystal structure

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2020-05-02. Materials Data on AsCClO2F3 by Materials Project. https://doi.org/10.17188/1685916

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