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Title: Materials Data on CrCl3 by Materials Project

Abstract

CrCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P3_212 space group. The structure is two-dimensional and consists of three CrCl3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Cl1- atoms to form edge-sharing CrCl6 octahedra. All Cr–Cl bond lengths are 2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms.

Publication Date:
Other Number(s):
mp-569890
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; CrCl3; Cl-Cr
OSTI Identifier:
1275320
DOI:
10.17188/1275320

Citation Formats

The Materials Project. Materials Data on CrCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275320.
The Materials Project. Materials Data on CrCl3 by Materials Project. United States. doi:10.17188/1275320.
The Materials Project. 2020. "Materials Data on CrCl3 by Materials Project". United States. doi:10.17188/1275320. https://www.osti.gov/servlets/purl/1275320. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1275320,
title = {Materials Data on CrCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CrCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P3_212 space group. The structure is two-dimensional and consists of three CrCl3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Cl1- atoms to form edge-sharing CrCl6 octahedra. All Cr–Cl bond lengths are 2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms.},
doi = {10.17188/1275320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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