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Title: Materials Data on CeReB4 by Materials Project

Abstract

CeReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ce–B bond distances ranging from 2.71–2.83 Å. Re3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.32–2.44 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.75 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.85 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.81 Å.

Publication Date:
Other Number(s):
mp-22361
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; CeReB4; B-Ce-Re
OSTI Identifier:
1197586
DOI:
https://doi.org/10.17188/1197586

Citation Formats

The Materials Project. Materials Data on CeReB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197586.
The Materials Project. Materials Data on CeReB4 by Materials Project. United States. doi:https://doi.org/10.17188/1197586
The Materials Project. 2020. "Materials Data on CeReB4 by Materials Project". United States. doi:https://doi.org/10.17188/1197586. https://www.osti.gov/servlets/purl/1197586. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1197586,
title = {Materials Data on CeReB4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeReB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ce3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Ce–B bond distances ranging from 2.71–2.83 Å. Re3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Re–B bond distances ranging from 2.32–2.44 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.76–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Ce3+, four equivalent Re3+, and three B+1.50- atoms. There is one shorter (1.72 Å) and one longer (1.75 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.85 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Ce3+, two equivalent Re3+, and three B+1.50- atoms. The B–B bond length is 1.81 Å.},
doi = {10.17188/1197586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}