skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KGaH4 by Materials Project

Abstract

KGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of K–H bond distances ranging from 2.76–2.97 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Ga–H bond distances ranging from 1.58–1.61 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one K1+ and one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-696983
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; KGaH4; Ga-H-K
OSTI Identifier:
1285077
DOI:
10.17188/1285077

Citation Formats

The Materials Project. Materials Data on KGaH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285077.
The Materials Project. Materials Data on KGaH4 by Materials Project. United States. doi:10.17188/1285077.
The Materials Project. 2020. "Materials Data on KGaH4 by Materials Project". United States. doi:10.17188/1285077. https://www.osti.gov/servlets/purl/1285077. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1285077,
title = {Materials Data on KGaH4 by Materials Project},
author = {The Materials Project},
abstractNote = {KGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of K–H bond distances ranging from 2.76–2.97 Å. Ga3+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Ga–H bond distances ranging from 1.58–1.61 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Ga3+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to one K1+ and one Ga3+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Ga3+ atom.},
doi = {10.17188/1285077},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: