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Title: Materials Data on Sm(GaS2)2 by Materials Project

Abstract

SmGa2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.92 Å) and four longer (2.98 Å) Sm–S bond lengths. Ga3+ is bonded to four S2- atoms to form edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.34–2.45 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sm2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sm2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SSm2Ga2 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1104219
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sm(GaS2)2; Ga-S-Sm
OSTI Identifier:
1680722
DOI:
https://doi.org/10.17188/1680722

Citation Formats

The Materials Project. Materials Data on Sm(GaS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680722.
The Materials Project. Materials Data on Sm(GaS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680722
The Materials Project. 2020. "Materials Data on Sm(GaS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680722. https://www.osti.gov/servlets/purl/1680722. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680722,
title = {Materials Data on Sm(GaS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmGa2S4 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (2.92 Å) and four longer (2.98 Å) Sm–S bond lengths. Ga3+ is bonded to four S2- atoms to form edge-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.34–2.45 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Sm2+ and two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded to two equivalent Sm2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SSm2Ga2 trigonal pyramids.},
doi = {10.17188/1680722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}