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Title: Materials Data on SrGaH4 by Materials Project

Abstract

SrGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.72 Å. Ga2+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.65 Å) and two longer (1.80 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Ga2+ atom. In the second H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga trigonal pyramids. In the third H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga tetrahedra.

Publication Date:
Other Number(s):
mp-510719
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; SrGaH4; Ga-H-Sr
OSTI Identifier:
1263065
DOI:
https://doi.org/10.17188/1263065

Citation Formats

The Materials Project. Materials Data on SrGaH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1263065.
The Materials Project. Materials Data on SrGaH4 by Materials Project. United States. doi:https://doi.org/10.17188/1263065
The Materials Project. 2020. "Materials Data on SrGaH4 by Materials Project". United States. doi:https://doi.org/10.17188/1263065. https://www.osti.gov/servlets/purl/1263065. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1263065,
title = {Materials Data on SrGaH4 by Materials Project},
author = {The Materials Project},
abstractNote = {SrGaH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten H1- atoms. There are a spread of Sr–H bond distances ranging from 2.45–2.72 Å. Ga2+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.65 Å) and two longer (1.80 Å) Ga–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Ga2+ atom. In the second H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga trigonal pyramids. In the third H1- site, H1- is bonded to three equivalent Sr2+ and one Ga2+ atom to form a mixture of distorted edge and corner-sharing HSr3Ga tetrahedra.},
doi = {10.17188/1263065},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}