Materials Data on AsCl5 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1204531· OSTI ID:1204531

The Materials Project

AsCl5 is High Pressure (4-7GPa) Tellurium-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two AsCl5 clusters. As5+ is bonded in a trigonal bipyramidal geometry to five Cl1- atoms. There are a spread of As–Cl bond distances ranging from 2.17–2.26 Å. 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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1204531
• Report Number(s): mp-30106
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
AsCl5
As-Cl