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Title: Materials Data on FeCu2SnS4 by Materials Project

Abstract

Cu2FeSnS4 is Stannite-like structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.31 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.49 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-628568
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; FeCu2SnS4; Cu-Fe-S-Sn
OSTI Identifier:
1278910
DOI:
10.17188/1278910

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on FeCu2SnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278910.
Persson, Kristin, & Project, Materials. Materials Data on FeCu2SnS4 by Materials Project. United States. doi:10.17188/1278910.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on FeCu2SnS4 by Materials Project". United States. doi:10.17188/1278910. https://www.osti.gov/servlets/purl/1278910. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278910,
title = {Materials Data on FeCu2SnS4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu2FeSnS4 is Stannite-like structured and crystallizes in the tetragonal P-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent S2- atoms to form FeS4 tetrahedra that share corners with four equivalent SnS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Fe–S bond lengths are 2.31 Å. Cu+1.50+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra, corners with four equivalent CuS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. Sn2+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent FeS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Sn–S bond lengths are 2.49 Å. S2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SFeCu2Sn tetrahedra.},
doi = {10.17188/1278910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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