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Title: Materials Data on AsCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199389· OSTI ID:1199389

AsCl3 is Ammonia-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four trichloroarsine molecules. As3+ is bonded in a distorted trigonal non-coplanar geometry to three Cl1- atoms. All As–Cl bond lengths are 2.21 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one As3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one As3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one As3+ 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:
1199389
Report Number(s):
mp-23280
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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