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Title: Materials Data on CsGaH4 by Materials Project

Abstract

CsGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Cs–H bond distances ranging from 3.20–3.32 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There is two shorter (1.59 Å) and two longer (1.61 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Cs1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one Cs1+ and one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ga3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1191351
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsGaH4; Cs-Ga-H
OSTI Identifier:
1695068
DOI:
https://doi.org/10.17188/1695068

Citation Formats

The Materials Project. Materials Data on CsGaH4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695068.
The Materials Project. Materials Data on CsGaH4 by Materials Project. United States. doi:https://doi.org/10.17188/1695068
The Materials Project. 2019. "Materials Data on CsGaH4 by Materials Project". United States. doi:https://doi.org/10.17188/1695068. https://www.osti.gov/servlets/purl/1695068. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1695068,
title = {Materials Data on CsGaH4 by Materials Project},
author = {The Materials Project},
abstractNote = {CsGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Cs–H bond distances ranging from 3.20–3.32 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There is two shorter (1.59 Å) and two longer (1.61 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one Cs1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one Cs1+ and one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Ga3+ atom.},
doi = {10.17188/1695068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}