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Title: Materials Data on Ce(BRu)4 by Materials Project

Abstract

Ce(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent B3- atoms to form distorted CeB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent CeB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Ce–B bond distances ranging from 2.99–3.21 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent CeB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one CeB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent CeB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.14–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ce3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.

Authors:
Publication Date:
Other Number(s):
mp-1201565
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(BRu)4; B-Ce-Ru
OSTI Identifier:
1686910
DOI:
https://doi.org/10.17188/1686910

Citation Formats

The Materials Project. Materials Data on Ce(BRu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686910.
The Materials Project. Materials Data on Ce(BRu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1686910
The Materials Project. 2020. "Materials Data on Ce(BRu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1686910. https://www.osti.gov/servlets/purl/1686910. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1686910,
title = {Materials Data on Ce(BRu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent B3- atoms to form distorted CeB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent CeB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Ce–B bond distances ranging from 2.99–3.21 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent CeB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one CeB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent CeB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.14–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ce3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.},
doi = {10.17188/1686910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}