DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ba(As3Ru)4 by Materials Project

Abstract

Ba(RuAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent As+1.67- atoms to form BaAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Ba–As bond lengths are 3.33 Å. Ru+4.50+ is bonded to six equivalent As+1.67- atoms to form RuAs6 octahedra that share corners with six equivalent RuAs6 octahedra and faces with two equivalent BaAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Ru–As bond lengths are 2.49 Å. As+1.67- is bonded in a 5-coordinate geometry to one Ba2+, two equivalent Ru+4.50+, and two equivalent As+1.67- atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) As–As bond lengths.

Publication Date:
Other Number(s):
mp-1214761
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; Ba(As3Ru)4; As-Ba-Ru
OSTI Identifier:
1699329
DOI:
https://doi.org/10.17188/1699329

Citation Formats

The Materials Project. Materials Data on Ba(As3Ru)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699329.
The Materials Project. Materials Data on Ba(As3Ru)4 by Materials Project. United States. doi:https://doi.org/10.17188/1699329
The Materials Project. 2020. "Materials Data on Ba(As3Ru)4 by Materials Project". United States. doi:https://doi.org/10.17188/1699329. https://www.osti.gov/servlets/purl/1699329. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1699329,
title = {Materials Data on Ba(As3Ru)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(RuAs3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent As+1.67- atoms to form BaAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Ba–As bond lengths are 3.33 Å. Ru+4.50+ is bonded to six equivalent As+1.67- atoms to form RuAs6 octahedra that share corners with six equivalent RuAs6 octahedra and faces with two equivalent BaAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Ru–As bond lengths are 2.49 Å. As+1.67- is bonded in a 5-coordinate geometry to one Ba2+, two equivalent Ru+4.50+, and two equivalent As+1.67- atoms. There are one shorter (2.54 Å) and one longer (2.64 Å) As–As bond lengths.},
doi = {10.17188/1699329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}