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Title: Materials Data on LaGaS2O by Materials Project

Abstract

LaGaS2O crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to eight S2- and two equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.03–3.31 Å. Both La–O bond lengths are 2.51 Å. Ga3+ is bonded to two S2- and two equivalent O2- atoms to form corner-sharing GaS2O2 tetrahedra. There are one shorter (2.23 Å) and one longer (2.27 Å) Ga–S bond lengths. Both Ga–O bond lengths are 1.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form distorted edge-sharing OLa2Ga2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7018
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; LaGaS2O; Ga-La-O-S
OSTI Identifier:
1285583
DOI:
10.17188/1285583

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaGaS2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285583.
Persson, Kristin, & Project, Materials. Materials Data on LaGaS2O by Materials Project. United States. doi:10.17188/1285583.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaGaS2O by Materials Project". United States. doi:10.17188/1285583. https://www.osti.gov/servlets/purl/1285583. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1285583,
title = {Materials Data on LaGaS2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaGaS2O crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to eight S2- and two equivalent O2- atoms. There are a spread of La–S bond distances ranging from 3.03–3.31 Å. Both La–O bond lengths are 2.51 Å. Ga3+ is bonded to two S2- and two equivalent O2- atoms to form corner-sharing GaS2O2 tetrahedra. There are one shorter (2.23 Å) and one longer (2.27 Å) Ga–S bond lengths. Both Ga–O bond lengths are 1.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent La3+ and one Ga3+ atom. O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form distorted edge-sharing OLa2Ga2 tetrahedra.},
doi = {10.17188/1285583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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