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Title: Materials Data on WCl3 by Materials Project

Abstract

WCl3 is Tungsten structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three WCl3 clusters. W3+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.39–2.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent W3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23269
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; WCl3; Cl-W
OSTI Identifier:
1199380
DOI:
https://doi.org/10.17188/1199380

Citation Formats

The Materials Project. Materials Data on WCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199380.
The Materials Project. Materials Data on WCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1199380
The Materials Project. 2020. "Materials Data on WCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1199380. https://www.osti.gov/servlets/purl/1199380. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1199380,
title = {Materials Data on WCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {WCl3 is Tungsten structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three WCl3 clusters. W3+ is bonded to five Cl1- atoms to form corner-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.39–2.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent W3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent W3+ atoms.},
doi = {10.17188/1199380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}