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Title: Materials Data on Li3H4Rh by Materials Project

Abstract

Li3RhH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Li–H bond distances ranging from 1.92–2.23 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six H atoms. There are two shorter (2.00 Å) and four longer (2.25 Å) Li–H bond lengths. Rh is bonded in a distorted square co-planar geometry to four H atoms. All Rh–H bond lengths are 1.68 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 5-coordinate geometry to four Li and one Rh atom. In the second H site, H is bonded to four Li and one Rh atom to form a mixture of distorted corner and edge-sharing HLi4Rh square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697047
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; Li3H4Rh; H-Li-Rh
OSTI Identifier:
1285096
DOI:
10.17188/1285096

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li3H4Rh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285096.
Persson, Kristin, & Project, Materials. Materials Data on Li3H4Rh by Materials Project. United States. doi:10.17188/1285096.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li3H4Rh by Materials Project". United States. doi:10.17188/1285096. https://www.osti.gov/servlets/purl/1285096. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285096,
title = {Materials Data on Li3H4Rh by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li3RhH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 5-coordinate geometry to five H atoms. There are a spread of Li–H bond distances ranging from 1.92–2.23 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six H atoms. There are two shorter (2.00 Å) and four longer (2.25 Å) Li–H bond lengths. Rh is bonded in a distorted square co-planar geometry to four H atoms. All Rh–H bond lengths are 1.68 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 5-coordinate geometry to four Li and one Rh atom. In the second H site, H is bonded to four Li and one Rh atom to form a mixture of distorted corner and edge-sharing HLi4Rh square pyramids.},
doi = {10.17188/1285096},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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