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Title: Materials Data on Li3H6Rh by Materials Project

Abstract

Li3RhH6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Li–H bond distances ranging from 2.04–2.19 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four H1- atoms. There are a spread of Li–H bond distances ranging from 1.92–2.11 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five H1- atoms. There are a spread of Li–H bond distances ranging from 1.86–2.27 Å. Rh3+ is bonded in an octahedral geometry to six H1- atoms. There are a spread of Rh–H bond distances ranging from 1.64–1.67 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a 3-coordinate geometry to two Li1+ and one Rh3+ atom. In the second H1- site, H1- is bonded in a 4-coordinate geometry to three Li1+ and one Rh3+ atom. In the third H1- site, H1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Rh3+ atom. In the fourth H1- site, H1- is bonded in a 3-coordinatemore » geometry to two Li1+ and one Rh3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-733455
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; Li3H6Rh; H-Li-Rh
OSTI Identifier:
1287680
DOI:
10.17188/1287680

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li3H6Rh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287680.
Persson, Kristin, & Project, Materials. Materials Data on Li3H6Rh by Materials Project. United States. doi:10.17188/1287680.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li3H6Rh by Materials Project". United States. doi:10.17188/1287680. https://www.osti.gov/servlets/purl/1287680. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1287680,
title = {Materials Data on Li3H6Rh by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li3RhH6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Li–H bond distances ranging from 2.04–2.19 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four H1- atoms. There are a spread of Li–H bond distances ranging from 1.92–2.11 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five H1- atoms. There are a spread of Li–H bond distances ranging from 1.86–2.27 Å. Rh3+ is bonded in an octahedral geometry to six H1- atoms. There are a spread of Rh–H bond distances ranging from 1.64–1.67 Å. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded in a 3-coordinate geometry to two Li1+ and one Rh3+ atom. In the second H1- site, H1- is bonded in a 4-coordinate geometry to three Li1+ and one Rh3+ atom. In the third H1- site, H1- is bonded in a rectangular see-saw-like geometry to three Li1+ and one Rh3+ atom. In the fourth H1- site, H1- is bonded in a 3-coordinate geometry to two Li1+ and one Rh3+ atom.},
doi = {10.17188/1287680},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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