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Title: Materials Data on Tb2S2O by Materials Project

Abstract

Tb2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Tb–S bond distances ranging from 2.80–3.18 Å. There are two shorter (2.28 Å) and one longer (2.30 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Tb–S bond distances ranging from 2.77–2.96 Å. The Tb–O bond length is 2.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.

Publication Date:
Other Number(s):
mp-982366
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; Tb2S2O; O-S-Tb
OSTI Identifier:
1316407
DOI:
10.17188/1316407

Citation Formats

The Materials Project. Materials Data on Tb2S2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316407.
The Materials Project. Materials Data on Tb2S2O by Materials Project. United States. doi:10.17188/1316407.
The Materials Project. 2020. "Materials Data on Tb2S2O by Materials Project". United States. doi:10.17188/1316407. https://www.osti.gov/servlets/purl/1316407. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1316407,
title = {Materials Data on Tb2S2O by Materials Project},
author = {The Materials Project},
abstractNote = {Tb2S2O crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 7-coordinate geometry to four S2- and three equivalent O2- atoms. There are a spread of Tb–S bond distances ranging from 2.80–3.18 Å. There are two shorter (2.28 Å) and one longer (2.30 Å) Tb–O bond lengths. In the second Tb3+ site, Tb3+ is bonded in a 1-coordinate geometry to six S2- and one O2- atom. There are a spread of Tb–S bond distances ranging from 2.77–2.96 Å. The Tb–O bond length is 2.27 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five Tb3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to five Tb3+ atoms. O2- is bonded to four Tb3+ atoms to form a mixture of edge and corner-sharing OTb4 tetrahedra.},
doi = {10.17188/1316407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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