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Title: Materials Data on Tm2S3 by Materials Project

Abstract

Tm2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.77–3.32 Å. In the second Tm3+ site, Tm3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing TmS7 pentagonal bipyramids. There are a spread of Tm–S bond distances ranging from 2.71–2.78 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tm3+ atoms. In the third S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-974
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; Tm2S3; S-Tm
OSTI Identifier:
1314391
DOI:
https://doi.org/10.17188/1314391

Citation Formats

The Materials Project. Materials Data on Tm2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314391.
The Materials Project. Materials Data on Tm2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1314391
The Materials Project. 2020. "Materials Data on Tm2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1314391. https://www.osti.gov/servlets/purl/1314391. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1314391,
title = {Materials Data on Tm2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of Tm–S bond distances ranging from 2.77–3.32 Å. In the second Tm3+ site, Tm3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing TmS7 pentagonal bipyramids. There are a spread of Tm–S bond distances ranging from 2.71–2.78 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 square pyramids. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tm3+ atoms. In the third S2- site, S2- is bonded to five Tm3+ atoms to form a mixture of distorted edge and corner-sharing STm5 trigonal bipyramids.},
doi = {10.17188/1314391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}