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Title: Materials Data on GaHO2 by Materials Project

Abstract

GaOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Ga–O bond distances ranging from 1.95–2.09 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ga3+ and one H1+ atom to form distorted corner-sharing OGa3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ga3+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-634326
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; GaHO2; Ga-H-O
OSTI Identifier:
1279456
DOI:
10.17188/1279456

Citation Formats

The Materials Project. Materials Data on GaHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279456.
The Materials Project. Materials Data on GaHO2 by Materials Project. United States. doi:10.17188/1279456.
The Materials Project. 2020. "Materials Data on GaHO2 by Materials Project". United States. doi:10.17188/1279456. https://www.osti.gov/servlets/purl/1279456. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1279456,
title = {Materials Data on GaHO2 by Materials Project},
author = {The Materials Project},
abstractNote = {GaOOH crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are a spread of Ga–O bond distances ranging from 1.95–2.09 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ga3+ and one H1+ atom to form distorted corner-sharing OGa3H tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ga3+ and one H1+ atom.},
doi = {10.17188/1279456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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