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Title: Materials Data on SmCuTeS by Materials Project

Abstract

SmCuTeS crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent Te2- and four equivalent S2- atoms. There are a spread of Sm–Te bond distances ranging from 3.21–3.47 Å. There are a spread of Sm–S bond distances ranging from 2.83–2.91 Å. Cu1+ is bonded to three equivalent Te2- and one S2- atom to form corner-sharing CuTe3S tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.64 Å. The Cu–S bond length is 2.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and three equivalent Cu1+ atoms. S2- is bonded to four equivalent Sm3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SSm4Cu trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-561248
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; SmCuTeS; Cu-S-Sm-Te
OSTI Identifier:
1271936
DOI:
https://doi.org/10.17188/1271936

Citation Formats

The Materials Project. Materials Data on SmCuTeS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271936.
The Materials Project. Materials Data on SmCuTeS by Materials Project. United States. doi:https://doi.org/10.17188/1271936
The Materials Project. 2020. "Materials Data on SmCuTeS by Materials Project". United States. doi:https://doi.org/10.17188/1271936. https://www.osti.gov/servlets/purl/1271936. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1271936,
title = {Materials Data on SmCuTeS by Materials Project},
author = {The Materials Project},
abstractNote = {SmCuTeS crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to three equivalent Te2- and four equivalent S2- atoms. There are a spread of Sm–Te bond distances ranging from 3.21–3.47 Å. There are a spread of Sm–S bond distances ranging from 2.83–2.91 Å. Cu1+ is bonded to three equivalent Te2- and one S2- atom to form corner-sharing CuTe3S tetrahedra. There are a spread of Cu–Te bond distances ranging from 2.59–2.64 Å. The Cu–S bond length is 2.30 Å. Te2- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and three equivalent Cu1+ atoms. S2- is bonded to four equivalent Sm3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SSm4Cu trigonal bipyramids.},
doi = {10.17188/1271936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}