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

Title: Materials Data on SmBS3 by Materials Project

Abstract

SmBS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.41 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.80–1.83 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one B3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-972448
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; SmBS3; B-S-Sm
OSTI Identifier:
1313838
DOI:
https://doi.org/10.17188/1313838

Citation Formats

The Materials Project. Materials Data on SmBS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313838.
The Materials Project. Materials Data on SmBS3 by Materials Project. United States. doi:https://doi.org/10.17188/1313838
The Materials Project. 2020. "Materials Data on SmBS3 by Materials Project". United States. doi:https://doi.org/10.17188/1313838. https://www.osti.gov/servlets/purl/1313838. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1313838,
title = {Materials Data on SmBS3 by Materials Project},
author = {The Materials Project},
abstractNote = {SmBS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.41 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of B–S bond distances ranging from 1.80–1.83 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Sm3+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Sm3+ and one B3+ atom.},
doi = {10.17188/1313838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}