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Title: Materials Data on TlCoNiS2 by Materials Project

Abstract

CoNiTlS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Co1+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent NiS4 tetrahedra. All Co–S bond lengths are 2.26 Å. Ni2+ is bonded to four equivalent S2- atoms to form NiS4 tetrahedra that share corners with four equivalent NiS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Ni–S bond lengths are 2.26 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.36 Å. S2- is bonded in a 4-coordinate geometry to two equivalent Co1+, two equivalent Ni2+, and four equivalent Tl1+ atoms.

Publication Date:
Other Number(s):
mp-1216615
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; TlCoNiS2; Co-Ni-S-Tl
OSTI Identifier:
1745101
DOI:
https://doi.org/10.17188/1745101

Citation Formats

The Materials Project. Materials Data on TlCoNiS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745101.
The Materials Project. Materials Data on TlCoNiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1745101
The Materials Project. 2020. "Materials Data on TlCoNiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1745101. https://www.osti.gov/servlets/purl/1745101. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745101,
title = {Materials Data on TlCoNiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoNiTlS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Co1+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent NiS4 tetrahedra. All Co–S bond lengths are 2.26 Å. Ni2+ is bonded to four equivalent S2- atoms to form NiS4 tetrahedra that share corners with four equivalent NiS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Ni–S bond lengths are 2.26 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Tl–S bond lengths are 3.36 Å. S2- is bonded in a 4-coordinate geometry to two equivalent Co1+, two equivalent Ni2+, and four equivalent Tl1+ atoms.},
doi = {10.17188/1745101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}