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

Title: Materials Data on Sr2Ga2S5 by Materials Project

Abstract

Sr2Ga2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.01–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 2.97–3.33 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.25–2.36 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.37 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the second S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SSr4Ga trigonal bipyramids. In the third S2- site, S2- is bonded in amore » 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form distorted SSr4Ga trigonal bipyramids that share corners with seven SSr4Ga trigonal bipyramids and edges with six SSr3Ga2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Sr2+ and two Ga3+ atoms to form a mixture of distorted edge and corner-sharing SSr3Ga2 trigonal bipyramids.« less

Publication Date:
Other Number(s):
mp-14680
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; Sr2Ga2S5; Ga-S-Sr
OSTI Identifier:
1190834
DOI:
10.17188/1190834

Citation Formats

The Materials Project. Materials Data on Sr2Ga2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190834.
The Materials Project. Materials Data on Sr2Ga2S5 by Materials Project. United States. doi:10.17188/1190834.
The Materials Project. 2020. "Materials Data on Sr2Ga2S5 by Materials Project". United States. doi:10.17188/1190834. https://www.osti.gov/servlets/purl/1190834. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1190834,
title = {Materials Data on Sr2Ga2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2Ga2S5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 3.01–3.20 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sr–S bond distances ranging from 2.97–3.33 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.25–2.36 Å. In the second Ga3+ site, Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.27–2.37 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to one Sr2+ and two Ga3+ atoms. In the second S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SSr4Ga trigonal bipyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ga3+ atoms. In the fourth S2- site, S2- is bonded to four Sr2+ and one Ga3+ atom to form distorted SSr4Ga trigonal bipyramids that share corners with seven SSr4Ga trigonal bipyramids and edges with six SSr3Ga2 trigonal bipyramids. In the fifth S2- site, S2- is bonded to three Sr2+ and two Ga3+ atoms to form a mixture of distorted edge and corner-sharing SSr3Ga2 trigonal bipyramids.},
doi = {10.17188/1190834},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: