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Title: Materials Data on MnCu2SnSe4 by Materials Project

Abstract

Cu2MnSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Mn–Se bond lengths are 2.52 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.63 Å. Se2- is bonded to one Mn2+, two equivalent Cu1+, and one Sn4+ atom to form corner-sharing SeMnCu2Sn tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-22400
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; MnCu2SnSe4; Cu-Mn-Se-Sn
OSTI Identifier:
1197615
DOI:
10.17188/1197615

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MnCu2SnSe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197615.
Persson, Kristin, & Project, Materials. Materials Data on MnCu2SnSe4 by Materials Project. United States. doi:10.17188/1197615.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MnCu2SnSe4 by Materials Project". United States. doi:10.17188/1197615. https://www.osti.gov/servlets/purl/1197615. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197615,
title = {Materials Data on MnCu2SnSe4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu2MnSnSe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Mn–Se bond lengths are 2.52 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra, corners with four equivalent CuSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. All Cu–Se bond lengths are 2.43 Å. Sn4+ is bonded to four equivalent Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with eight equivalent CuSe4 tetrahedra. All Sn–Se bond lengths are 2.63 Å. Se2- is bonded to one Mn2+, two equivalent Cu1+, and one Sn4+ atom to form corner-sharing SeMnCu2Sn tetrahedra.},
doi = {10.17188/1197615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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