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Title: Materials Data on GaHO2 by Materials Project

Abstract

GaOOH crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 2.01–2.12 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 2.01–2.15 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ga3+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-625628
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:
1278431
DOI:
10.17188/1278431

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GaHO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278431.
Persson, Kristin, & Project, Materials. Materials Data on GaHO2 by Materials Project. United States. doi:10.17188/1278431.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GaHO2 by Materials Project". United States. doi:10.17188/1278431. https://www.osti.gov/servlets/purl/1278431. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1278431,
title = {Materials Data on GaHO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GaOOH crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 2.01–2.12 Å. In the second Ga3+ site, Ga3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing GaO6 pentagonal pyramids. There are a spread of Ga–O bond distances ranging from 2.01–2.15 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ga3+ atoms to form a mixture of distorted corner and edge-sharing OGa4 tetrahedra. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Ga3+ and one H1+ atom.},
doi = {10.17188/1278431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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