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 = {Fri Jan 11 00:00:00 EST 2019},
month = {Fri Jan 11 00:00:00 EST 2019}
}
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