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Title: Materials Data on SmSO4 by Materials Project

Abstract

SmSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.81 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sm2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm2+ and one S6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1208974
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; SmSO4; O-S-Sm
OSTI Identifier:
1732724
DOI:
https://doi.org/10.17188/1732724

Citation Formats

The Materials Project. Materials Data on SmSO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732724.
The Materials Project. Materials Data on SmSO4 by Materials Project. United States. doi:https://doi.org/10.17188/1732724
The Materials Project. 2019. "Materials Data on SmSO4 by Materials Project". United States. doi:https://doi.org/10.17188/1732724. https://www.osti.gov/servlets/purl/1732724. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1732724,
title = {Materials Data on SmSO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SmSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.38–2.81 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sm2+ and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Sm2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Sm2+ and one S6+ atom.},
doi = {10.17188/1732724},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}