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Title: Materials Data on Li4H6Os by Materials Project

Abstract

Li4OsH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. All Li–H bond lengths are 2.09 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.23 Å. Os2- is bonded in an octahedral geometry to six equivalent H+0.33- atoms. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four Li1+ and one Os2- atom to form a mixture of face and corner-sharing HLi4Os square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-642996
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; Li4H6Os; H-Li-Os
OSTI Identifier:
1280227
DOI:
10.17188/1280227

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li4H6Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280227.
Persson, Kristin, & Project, Materials. Materials Data on Li4H6Os by Materials Project. United States. doi:10.17188/1280227.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li4H6Os by Materials Project". United States. doi:10.17188/1280227. https://www.osti.gov/servlets/purl/1280227. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280227,
title = {Materials Data on Li4H6Os by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li4OsH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. All Li–H bond lengths are 2.09 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H+0.33- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.23 Å. Os2- is bonded in an octahedral geometry to six equivalent H+0.33- atoms. All Os–H bond lengths are 1.73 Å. H+0.33- is bonded to four Li1+ and one Os2- atom to form a mixture of face and corner-sharing HLi4Os square pyramids.},
doi = {10.17188/1280227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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