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Title: Materials Data on AsCl3O by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-29863
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AsCl3O; As-Cl-O
OSTI Identifier:
1204304
DOI:
https://doi.org/10.17188/1204304

Citation Formats

The Materials Project. Materials Data on AsCl3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204304.
The Materials Project. Materials Data on AsCl3O by Materials Project. United States. doi:https://doi.org/10.17188/1204304
The Materials Project. 2020. "Materials Data on AsCl3O by Materials Project". United States. doi:https://doi.org/10.17188/1204304. https://www.osti.gov/servlets/purl/1204304. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204304,
title = {Materials Data on AsCl3O by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1204304},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}