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

Abstract

TlCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu+1.50+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.35 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.35 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-8676
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; Tl(CuS)2; Cu-S-Tl
OSTI Identifier:
1312089
DOI:
https://doi.org/10.17188/1312089

Citation Formats

The Materials Project. Materials Data on Tl(CuS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312089.
The Materials Project. Materials Data on Tl(CuS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1312089
The Materials Project. 2020. "Materials Data on Tl(CuS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1312089. https://www.osti.gov/servlets/purl/1312089. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1312089,
title = {Materials Data on Tl(CuS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlCu2S2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu+1.50+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.35 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.35 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Cu+1.50+ and four equivalent Tl1+ atoms.},
doi = {10.17188/1312089},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}