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Title: Materials Data on Li5H9Pt2 by Materials Project

Abstract

Li5Pt2H9 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five H+0.11- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.22 Å. In the second Li1+ site, Li1+ is bonded in a body-centered cubic geometry to eight equivalent H+0.11- atoms. All Li–H bond lengths are 2.31 Å. Pt2- is bonded to five H+0.11- atoms to form distorted corner-sharing PtH5 square pyramids. There is four shorter (1.65 Å) and one longer (1.86 Å) Pt–H bond length. There are two inequivalent H+0.11- sites. In the first H+0.11- site, H+0.11- is bonded in an octahedral geometry to four equivalent Li1+ and two equivalent Pt2- atoms. In the second H+0.11- site, H+0.11- is bonded in a 4-coordinate geometry to three Li1+ and one Pt2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643656
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; Li5H9Pt2; H-Li-Pt
OSTI Identifier:
1280337
DOI:
10.17188/1280337

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li5H9Pt2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280337.
Persson, Kristin, & Project, Materials. Materials Data on Li5H9Pt2 by Materials Project. United States. doi:10.17188/1280337.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li5H9Pt2 by Materials Project". United States. doi:10.17188/1280337. https://www.osti.gov/servlets/purl/1280337. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280337,
title = {Materials Data on Li5H9Pt2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li5Pt2H9 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five H+0.11- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.22 Å. In the second Li1+ site, Li1+ is bonded in a body-centered cubic geometry to eight equivalent H+0.11- atoms. All Li–H bond lengths are 2.31 Å. Pt2- is bonded to five H+0.11- atoms to form distorted corner-sharing PtH5 square pyramids. There is four shorter (1.65 Å) and one longer (1.86 Å) Pt–H bond length. There are two inequivalent H+0.11- sites. In the first H+0.11- site, H+0.11- is bonded in an octahedral geometry to four equivalent Li1+ and two equivalent Pt2- atoms. In the second H+0.11- site, H+0.11- is bonded in a 4-coordinate geometry to three Li1+ and one Pt2- atom.},
doi = {10.17188/1280337},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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