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Title: Materials Data on Ga2H6(SeO4)3 by Materials Project

Abstract

Ga2H6(SeO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (1.98 Å) and three longer (2.03 Å) Ga–O bond lengths. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (1.96 Å) and three longer (2.05 Å) Ga–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ andmore » one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Ga3+ and two H1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542464
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; Ga2H6(SeO4)3; Ga-H-O-Se
OSTI Identifier:
1266542
DOI:
10.17188/1266542

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ga2H6(SeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266542.
Persson, Kristin, & Project, Materials. Materials Data on Ga2H6(SeO4)3 by Materials Project. United States. doi:10.17188/1266542.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ga2H6(SeO4)3 by Materials Project". United States. doi:10.17188/1266542. https://www.osti.gov/servlets/purl/1266542. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1266542,
title = {Materials Data on Ga2H6(SeO4)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ga2H6(SeO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (1.98 Å) and three longer (2.03 Å) Ga–O bond lengths. In the second Ga3+ site, Ga3+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (1.96 Å) and three longer (2.05 Å) Ga–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Ga3+ and two H1+ atoms.},
doi = {10.17188/1266542},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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