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Title: Materials Data on Na4H6Ru by Materials Project

Abstract

Na4RuH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Na–H bond lengths are 2.34 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent H1- atoms. There are four shorter (2.40 Å) and two longer (2.50 Å) Na–H bond lengths. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.74 Å. H1- is bonded to four Na1+ and one Ru2+ atom to form a mixture of corner and face-sharing HNa4Ru square pyramids.

Publication Date:
Other Number(s):
mp-643001
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; Na4H6Ru; H-Na-Ru
OSTI Identifier:
1280231
DOI:
10.17188/1280231

Citation Formats

The Materials Project. Materials Data on Na4H6Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280231.
The Materials Project. Materials Data on Na4H6Ru by Materials Project. United States. doi:10.17188/1280231.
The Materials Project. 2020. "Materials Data on Na4H6Ru by Materials Project". United States. doi:10.17188/1280231. https://www.osti.gov/servlets/purl/1280231. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280231,
title = {Materials Data on Na4H6Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Na4RuH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Na–H bond lengths are 2.34 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent H1- atoms. There are four shorter (2.40 Å) and two longer (2.50 Å) Na–H bond lengths. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.74 Å. H1- is bonded to four Na1+ and one Ru2+ atom to form a mixture of corner and face-sharing HNa4Ru square pyramids.},
doi = {10.17188/1280231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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