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Title: Materials Data on CrI3 by Materials Project

Abstract

CrI3 is Chromium trichloride structured and crystallizes in the trigonal P3_112 space group. The structure is two-dimensional and consists of three CrI3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six I1- atoms to form edge-sharing CrI6 octahedra. There are four shorter (2.74 Å) and two longer (2.75 Å) Cr–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms.

Publication Date:
Other Number(s):
mp-1213805
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; CrI3; Cr-I
OSTI Identifier:
1694523
DOI:
https://doi.org/10.17188/1694523

Citation Formats

The Materials Project. Materials Data on CrI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694523.
The Materials Project. Materials Data on CrI3 by Materials Project. United States. doi:https://doi.org/10.17188/1694523
The Materials Project. 2020. "Materials Data on CrI3 by Materials Project". United States. doi:https://doi.org/10.17188/1694523. https://www.osti.gov/servlets/purl/1694523. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1694523,
title = {Materials Data on CrI3 by Materials Project},
author = {The Materials Project},
abstractNote = {CrI3 is Chromium trichloride structured and crystallizes in the trigonal P3_112 space group. The structure is two-dimensional and consists of three CrI3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six I1- atoms to form edge-sharing CrI6 octahedra. There are four shorter (2.74 Å) and two longer (2.75 Å) Cr–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms.},
doi = {10.17188/1694523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}