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Title: Materials Data on BaTeS3 by Materials Project

Abstract

BaTeS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.31–3.65 Å. Te4+ is bonded in a 3-coordinate geometry to five S2- atoms. There are a spread of Te–S bond distances ranging from 2.39–3.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and two equivalent Te4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Ba2+ and one Te4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-27499
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; BaTeS3; Ba-S-Te
OSTI Identifier:
1201717
DOI:
https://doi.org/10.17188/1201717

Citation Formats

The Materials Project. Materials Data on BaTeS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201717.
The Materials Project. Materials Data on BaTeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1201717
The Materials Project. 2020. "Materials Data on BaTeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1201717. https://www.osti.gov/servlets/purl/1201717. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1201717,
title = {Materials Data on BaTeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaTeS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.31–3.65 Å. Te4+ is bonded in a 3-coordinate geometry to five S2- atoms. There are a spread of Te–S bond distances ranging from 2.39–3.35 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and two equivalent Te4+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Ba2+ and one Te4+ atom.},
doi = {10.17188/1201717},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}