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Title: Materials Data on FeCu2SnSe4 by Materials Project

Abstract

Cu2FeSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Fe–Se bond lengths are 2.41 Å. Cu+1.50+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Sn2+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.67 Å. Se2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SeFeCu2Sn tetrahedra.

Publication Date:
Other Number(s):
mp-22612
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; FeCu2SnSe4; Cu-Fe-Se-Sn
OSTI Identifier:
1198823
DOI:
10.17188/1198823

Citation Formats

The Materials Project. Materials Data on FeCu2SnSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198823.
The Materials Project. Materials Data on FeCu2SnSe4 by Materials Project. United States. doi:10.17188/1198823.
The Materials Project. 2020. "Materials Data on FeCu2SnSe4 by Materials Project". United States. doi:10.17188/1198823. https://www.osti.gov/servlets/purl/1198823. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1198823,
title = {Materials Data on FeCu2SnSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2FeSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent Se2- atoms to form FeSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Fe–Se bond lengths are 2.41 Å. Cu+1.50+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Sn2+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent FeSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.67 Å. Se2- is bonded to one Fe3+, two equivalent Cu+1.50+, and one Sn2+ atom to form corner-sharing SeFeCu2Sn tetrahedra.},
doi = {10.17188/1198823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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