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

Title: Materials Data on Sr3Ga4O9 by Materials Project

Abstract

Sr3Ga4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.71 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.68 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.77 Å. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.92 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.88 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.86–1.89 Å. In the fourth Ga3+ site,more » Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.91 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Sr2+ and two Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two Ga3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with two equivalent OSr3Ga tetrahedra, corners with three equivalent OSr2Ga2 trigonal pyramids, and an edgeedge with one OSr2Ga2 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two Ga3+ atoms. In the sixth O2- site, O2- is bonded to three Sr2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSr3Ga tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ga3+ atom. In the eighth O2- site, O2- is bonded to two Sr2+ and two Ga3+ atoms to form distorted OSr2Ga2 trigonal pyramids that share corners with three equivalent OSr2Ga2 tetrahedra and an edgeedge with one OSr3Ga tetrahedra. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two Ga3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-30158
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; Sr3Ga4O9; Ga-O-Sr
OSTI Identifier:
1204573
DOI:
10.17188/1204573

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr3Ga4O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204573.
Persson, Kristin, & Project, Materials. Materials Data on Sr3Ga4O9 by Materials Project. United States. doi:10.17188/1204573.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr3Ga4O9 by Materials Project". United States. doi:10.17188/1204573. https://www.osti.gov/servlets/purl/1204573. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1204573,
title = {Materials Data on Sr3Ga4O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr3Ga4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–2.71 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.68 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.77 Å. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.92 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.88 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.86–1.89 Å. In the fourth Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.91 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Sr2+ and two Ga3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two Ga3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with two equivalent OSr3Ga tetrahedra, corners with three equivalent OSr2Ga2 trigonal pyramids, and an edgeedge with one OSr2Ga2 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two Ga3+ atoms. In the sixth O2- site, O2- is bonded to three Sr2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSr3Ga tetrahedra. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ga3+ atom. In the eighth O2- site, O2- is bonded to two Sr2+ and two Ga3+ atoms to form distorted OSr2Ga2 trigonal pyramids that share corners with three equivalent OSr2Ga2 tetrahedra and an edgeedge with one OSr3Ga tetrahedra. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+ and two Ga3+ atoms.},
doi = {10.17188/1204573},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: