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

Abstract

ScRu4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are four shorter (2.91 Å) and four longer (2.99 Å) Sc–B bond lengths. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted corner and edge-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.13–2.27 Å. B3- is bonded in a 6-coordinate geometry to two equivalent Sc3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.77 Å.

Authors:
Publication Date:
Other Number(s):
mp-1200617
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; Sc(BRu)4; B-Ru-Sc
OSTI Identifier:
1743364
DOI:
https://doi.org/10.17188/1743364

Citation Formats

The Materials Project. Materials Data on Sc(BRu)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743364.
The Materials Project. Materials Data on Sc(BRu)4 by Materials Project. United States. doi:https://doi.org/10.17188/1743364
The Materials Project. 2020. "Materials Data on Sc(BRu)4 by Materials Project". United States. doi:https://doi.org/10.17188/1743364. https://www.osti.gov/servlets/purl/1743364. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743364,
title = {Materials Data on Sc(BRu)4 by Materials Project},
author = {The Materials Project},
abstractNote = {ScRu4B4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are four shorter (2.91 Å) and four longer (2.99 Å) Sc–B bond lengths. Ru+2.25+ is bonded to five equivalent B3- atoms to form a mixture of distorted corner and edge-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.13–2.27 Å. B3- is bonded in a 6-coordinate geometry to two equivalent Sc3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.77 Å.},
doi = {10.17188/1743364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}