DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tl(V3S4)2 by Materials Project

Abstract

TlV6S8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. V+2.50+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of V–S bond distances ranging from 2.32–2.58 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.12 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent V+2.50+ and one Tl1+ atom. In the second S2- site, S2- is bonded to six equivalent V+2.50+ atoms to form distorted face-sharing SV6 pentagonal pyramids.

Publication Date:
Other Number(s):
mp-1216802
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; Tl(V3S4)2; S-Tl-V
OSTI Identifier:
1662820
DOI:
https://doi.org/10.17188/1662820

Citation Formats

The Materials Project. Materials Data on Tl(V3S4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662820.
The Materials Project. Materials Data on Tl(V3S4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662820
The Materials Project. 2020. "Materials Data on Tl(V3S4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662820. https://www.osti.gov/servlets/purl/1662820. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1662820,
title = {Materials Data on Tl(V3S4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlV6S8 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. V+2.50+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing VS6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There are a spread of V–S bond distances ranging from 2.32–2.58 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.12 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent V+2.50+ and one Tl1+ atom. In the second S2- site, S2- is bonded to six equivalent V+2.50+ atoms to form distorted face-sharing SV6 pentagonal pyramids.},
doi = {10.17188/1662820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}