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

Title: Materials Data on TaCu3S4 by Materials Project

Abstract

Cu3TaS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share edges with six equivalent CuS4 tetrahedra. All Ta–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra and edges with two equivalent TaS4 tetrahedra. All Cu–S bond lengths are 2.38 Å. S2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing STaCu3 tetrahedra.

Publication Date:
Other Number(s):
mp-10748
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; TaCu3S4; Cu-S-Ta
OSTI Identifier:
1187330
DOI:
https://doi.org/10.17188/1187330

Citation Formats

The Materials Project. Materials Data on TaCu3S4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187330.
The Materials Project. Materials Data on TaCu3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1187330
The Materials Project. 2020. "Materials Data on TaCu3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1187330. https://www.osti.gov/servlets/purl/1187330. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187330,
title = {Materials Data on TaCu3S4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3TaS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ta5+ is bonded to four equivalent S2- atoms to form TaS4 tetrahedra that share edges with six equivalent CuS4 tetrahedra. All Ta–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with eight equivalent CuS4 tetrahedra and edges with two equivalent TaS4 tetrahedra. All Cu–S bond lengths are 2.38 Å. S2- is bonded to one Ta5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing STaCu3 tetrahedra.},
doi = {10.17188/1187330},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}