U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Cl-O; AsCl3O; crystal structure
- OSTI Identifier:
- 1204304
- DOI:
- https://doi.org/10.17188/1204304
Citation Formats
Materials Data on AsCl3O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204304.
Materials Data on AsCl3O by Materials Project. United States. doi:https://doi.org/10.17188/1204304
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 04:00:00 UTC 2020
@article{osti_1204304,
title = {Materials Data on AsCl3O by 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}
}