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Title: Materials Data on Tl2S5 by Materials Project

Abstract

Tl2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S+0.40- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.51 Å. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to six S+0.40- atoms. There are a spread of Tl–S bond distances ranging from 3.05–3.82 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to three Tl1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two S+0.40- atoms. The S–S bond length is 2.07 Å. In the third S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Tl1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one Tl1+ and two S+0.40- atoms. The S–S bond length is 2.10 Å. In the fifth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to twomore » S+0.40- atoms.« less

Publication Date:
Other Number(s):
mp-30520
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; Tl2S5; S-Tl
OSTI Identifier:
1204919
DOI:
https://doi.org/10.17188/1204919

Citation Formats

The Materials Project. Materials Data on Tl2S5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204919.
The Materials Project. Materials Data on Tl2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1204919
The Materials Project. 2017. "Materials Data on Tl2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1204919. https://www.osti.gov/servlets/purl/1204919. Pub date:Fri May 19 00:00:00 EDT 2017
@article{osti_1204919,
title = {Materials Data on Tl2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2S5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S+0.40- atoms. There are a spread of Tl–S bond distances ranging from 3.10–3.51 Å. In the second Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to six S+0.40- atoms. There are a spread of Tl–S bond distances ranging from 3.05–3.82 Å. There are five inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to three Tl1+ and one S+0.40- atom. The S–S bond length is 2.06 Å. In the second S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two S+0.40- atoms. The S–S bond length is 2.07 Å. In the third S+0.40- site, S+0.40- is bonded in a 6-coordinate geometry to five Tl1+ and one S+0.40- atom. The S–S bond length is 2.05 Å. In the fourth S+0.40- site, S+0.40- is bonded in a 3-coordinate geometry to one Tl1+ and two S+0.40- atoms. The S–S bond length is 2.10 Å. In the fifth S+0.40- site, S+0.40- is bonded in a distorted water-like geometry to two S+0.40- atoms.},
doi = {10.17188/1204919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}