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Title: Materials Data on Tb2S3 by Materials Project

Abstract

Tb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.76–2.97 Å. In the third Tb3+ site, Tb3+ is bonded to eight S2- atoms to form distorted edge-sharing TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.78–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids.

Publication Date:
Other Number(s):
mp-673644
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; Tb2S3; S-Tb
OSTI Identifier:
1282362
DOI:
10.17188/1282362

Citation Formats

The Materials Project. Materials Data on Tb2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282362.
The Materials Project. Materials Data on Tb2S3 by Materials Project. United States. doi:10.17188/1282362.
The Materials Project. 2020. "Materials Data on Tb2S3 by Materials Project". United States. doi:10.17188/1282362. https://www.osti.gov/servlets/purl/1282362. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1282362,
title = {Materials Data on Tb2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.76–2.97 Å. In the third Tb3+ site, Tb3+ is bonded to eight S2- atoms to form distorted edge-sharing TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.78–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids.},
doi = {10.17188/1282362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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