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Title: Materials Data on Ce(CrB3)2 by Materials Project

Abstract

CeCr2B6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to sixteen B2- atoms. There are a spread of Ce–B bond distances ranging from 2.80–2.97 Å. Cr+4.50+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are two shorter (2.12 Å) and eight longer (2.21 Å) Cr–B bond lengths. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Cr+4.50+, and three B2- atoms. There is two shorter (1.75 Å) and one longer (1.86 Å) B–B bond length. In the second B2- site, B2- is bonded in a 6-coordinate geometry to three equivalent Ce3+, three equivalent Cr+4.50+, and three B2- atoms. Both B–B bond lengths are 1.78 Å.

Authors:
Publication Date:
Other Number(s):
mp-2873
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; Ce(CrB3)2; B-Ce-Cr
OSTI Identifier:
1202795
DOI:
https://doi.org/10.17188/1202795

Citation Formats

The Materials Project. Materials Data on Ce(CrB3)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1202795.
The Materials Project. Materials Data on Ce(CrB3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202795
The Materials Project. 2017. "Materials Data on Ce(CrB3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202795. https://www.osti.gov/servlets/purl/1202795. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1202795,
title = {Materials Data on Ce(CrB3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCr2B6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to sixteen B2- atoms. There are a spread of Ce–B bond distances ranging from 2.80–2.97 Å. Cr+4.50+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are two shorter (2.12 Å) and eight longer (2.21 Å) Cr–B bond lengths. There are two inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Cr+4.50+, and three B2- atoms. There is two shorter (1.75 Å) and one longer (1.86 Å) B–B bond length. In the second B2- site, B2- is bonded in a 6-coordinate geometry to three equivalent Ce3+, three equivalent Cr+4.50+, and three B2- atoms. Both B–B bond lengths are 1.78 Å.},
doi = {10.17188/1202795},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}