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Title: Materials Data on CrI2 by Materials Project

Abstract

I2Cr is trigonal omega-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two I2Cr sheets oriented in the (0, 0, 1) direction. Cr2+ is bonded to six I1- atoms to form edge-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.87–2.90 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cr2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cr2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1181742
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; CrI2; Cr-I
OSTI Identifier:
1741633
DOI:
https://doi.org/10.17188/1741633

Citation Formats

The Materials Project. Materials Data on CrI2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741633.
The Materials Project. Materials Data on CrI2 by Materials Project. United States. doi:https://doi.org/10.17188/1741633
The Materials Project. 2020. "Materials Data on CrI2 by Materials Project". United States. doi:https://doi.org/10.17188/1741633. https://www.osti.gov/servlets/purl/1741633. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1741633,
title = {Materials Data on CrI2 by Materials Project},
author = {The Materials Project},
abstractNote = {I2Cr is trigonal omega-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two I2Cr sheets oriented in the (0, 0, 1) direction. Cr2+ is bonded to six I1- atoms to form edge-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.87–2.90 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cr2+ atoms. In the second I1- site, I1- is bonded in a distorted T-shaped geometry to three equivalent Cr2+ atoms.},
doi = {10.17188/1741633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}