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Title: Materials Data on CrInBr3 by Materials Project

Abstract

CrInBr3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CrInBr3 sheets oriented in the (0, 1, 0) direction. Cr2+ is bonded to six Br1- atoms to form distorted edge-sharing CrBr6 octahedra. There are a spread of Cr–Br bond distances ranging from 2.51–3.28 Å. In1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of In–Br bond distances ranging from 3.16–3.52 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Cr2+ and two equivalent In1+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Cr2+ and three equivalent In1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-28532
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; CrInBr3; Br-Cr-In
OSTI Identifier:
1202619
DOI:
https://doi.org/10.17188/1202619

Citation Formats

The Materials Project. Materials Data on CrInBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202619.
The Materials Project. Materials Data on CrInBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1202619
The Materials Project. 2020. "Materials Data on CrInBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1202619. https://www.osti.gov/servlets/purl/1202619. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1202619,
title = {Materials Data on CrInBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CrInBr3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CrInBr3 sheets oriented in the (0, 1, 0) direction. Cr2+ is bonded to six Br1- atoms to form distorted edge-sharing CrBr6 octahedra. There are a spread of Cr–Br bond distances ranging from 2.51–3.28 Å. In1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of In–Br bond distances ranging from 3.16–3.52 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Cr2+ and two equivalent In1+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Cr2+ atoms. In the third Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Cr2+ and three equivalent In1+ atoms.},
doi = {10.17188/1202619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}