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Title: Materials Data on CrB4 by Materials Project

Abstract

CrB4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr6+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing CrB12 cuboctahedra. There are a spread of Cr–B bond distances ranging from 2.05–2.25 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and five B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–2.14 Å. In the second B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and four equivalent B+1.50- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1078278
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; CrB4; B-Cr
OSTI Identifier:
1710012
DOI:
https://doi.org/10.17188/1710012

Citation Formats

The Materials Project. Materials Data on CrB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710012.
The Materials Project. Materials Data on CrB4 by Materials Project. United States. doi:https://doi.org/10.17188/1710012
The Materials Project. 2020. "Materials Data on CrB4 by Materials Project". United States. doi:https://doi.org/10.17188/1710012. https://www.osti.gov/servlets/purl/1710012. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710012,
title = {Materials Data on CrB4 by Materials Project},
author = {The Materials Project},
abstractNote = {CrB4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Cr6+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing CrB12 cuboctahedra. There are a spread of Cr–B bond distances ranging from 2.05–2.25 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and five B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.73–2.14 Å. In the second B+1.50- site, B+1.50- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and four equivalent B+1.50- atoms.},
doi = {10.17188/1710012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}