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Title: Materials Data on Ba(Sb3Ru)4 by Materials Project

Abstract

BaRu4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Sb1- atoms to form BaSb12 cuboctahedra that share faces with eight equivalent RuSb6 octahedra. All Ba–Sb bond lengths are 3.58 Å. Ru+2.50+ is bonded to six equivalent Sb1- atoms to form RuSb6 octahedra that share corners with six equivalent RuSb6 octahedra and faces with two equivalent BaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 55°. All Ru–Sb bond lengths are 2.66 Å. Sb1- is bonded in a 2-coordinate geometry to one Ba2+, two equivalent Ru+2.50+, and two equivalent Sb1- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Sb–Sb bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-9976
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; Ba(Sb3Ru)4; Ba-Ru-Sb
OSTI Identifier:
1317259
DOI:
https://doi.org/10.17188/1317259

Citation Formats

The Materials Project. Materials Data on Ba(Sb3Ru)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317259.
The Materials Project. Materials Data on Ba(Sb3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1317259
The Materials Project. 2020. "Materials Data on Ba(Sb3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1317259. https://www.osti.gov/servlets/purl/1317259. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1317259,
title = {Materials Data on Ba(Sb3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaRu4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent Sb1- atoms to form BaSb12 cuboctahedra that share faces with eight equivalent RuSb6 octahedra. All Ba–Sb bond lengths are 3.58 Å. Ru+2.50+ is bonded to six equivalent Sb1- atoms to form RuSb6 octahedra that share corners with six equivalent RuSb6 octahedra and faces with two equivalent BaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 55°. All Ru–Sb bond lengths are 2.66 Å. Sb1- is bonded in a 2-coordinate geometry to one Ba2+, two equivalent Ru+2.50+, and two equivalent Sb1- atoms. There are one shorter (2.95 Å) and one longer (3.03 Å) Sb–Sb bond lengths.},
doi = {10.17188/1317259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}