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Title: Materials Data on SmAsS by Materials Project

Abstract

SmAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Sm–As bond distances ranging from 3.13–3.26 Å. There are a spread of Sm–S bond distances ranging from 2.84–2.91 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (2.95 Å) As–As bond lengths. S2- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557569
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; SmAsS; As-S-Sm
OSTI Identifier:
1269897
DOI:
10.17188/1269897

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmAsS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269897.
Persson, Kristin, & Project, Materials. Materials Data on SmAsS by Materials Project. United States. doi:10.17188/1269897.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SmAsS by Materials Project". United States. doi:10.17188/1269897. https://www.osti.gov/servlets/purl/1269897. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269897,
title = {Materials Data on SmAsS by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SmAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Sm–As bond distances ranging from 3.13–3.26 Å. There are a spread of Sm–S bond distances ranging from 2.84–2.91 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (2.95 Å) As–As bond lengths. S2- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.},
doi = {10.17188/1269897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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