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Title: Materials Data on Ba2H6Ru by Materials Project

Abstract

Ba2RuH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent H1- atoms to form BaH12 cuboctahedra that share corners with twelve equivalent BaH12 cuboctahedra, faces with six equivalent BaH12 cuboctahedra, and faces with four equivalent RuH6 octahedra. All Ba–H bond lengths are 2.87 Å. Ru2+ is bonded to six equivalent H1- atoms to form RuH6 octahedra that share faces with eight equivalent BaH12 cuboctahedra. All Ru–H bond lengths are 1.73 Å. H1- is bonded to four equivalent Ba2+ and one Ru2+ atom to form a mixture of face, edge, and corner-sharing HBa4Ru square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697038
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; Ba2H6Ru; Ba-H-Ru
OSTI Identifier:
1285094
DOI:
10.17188/1285094

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba2H6Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285094.
Persson, Kristin, & Project, Materials. Materials Data on Ba2H6Ru by Materials Project. United States. doi:10.17188/1285094.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba2H6Ru by Materials Project". United States. doi:10.17188/1285094. https://www.osti.gov/servlets/purl/1285094. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1285094,
title = {Materials Data on Ba2H6Ru by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba2RuH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent H1- atoms to form BaH12 cuboctahedra that share corners with twelve equivalent BaH12 cuboctahedra, faces with six equivalent BaH12 cuboctahedra, and faces with four equivalent RuH6 octahedra. All Ba–H bond lengths are 2.87 Å. Ru2+ is bonded to six equivalent H1- atoms to form RuH6 octahedra that share faces with eight equivalent BaH12 cuboctahedra. All Ru–H bond lengths are 1.73 Å. H1- is bonded to four equivalent Ba2+ and one Ru2+ atom to form a mixture of face, edge, and corner-sharing HBa4Ru square pyramids.},
doi = {10.17188/1285094},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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