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Title: Materials Data on SnPbSe2 by Materials Project

Abstract

PbSnSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Se2- atoms to form PbSe6 octahedra that share corners with six equivalent SnSe6 octahedra, edges with six equivalent PbSe6 octahedra, and edges with six equivalent SnSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pb–Se bond lengths are 3.10 Å. Sn2+ is bonded to six equivalent Se2- atoms to form SnSe6 octahedra that share corners with six equivalent PbSe6 octahedra, edges with six equivalent PbSe6 octahedra, and edges with six equivalent SnSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–Se bond lengths are 3.04 Å. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form a mixture of edge and corner-sharing SeSn3Pb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1218938
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnPbSe2; Pb-Se-Sn
OSTI Identifier:
1705533
DOI:
https://doi.org/10.17188/1705533

Citation Formats

The Materials Project. Materials Data on SnPbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705533.
The Materials Project. Materials Data on SnPbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1705533
The Materials Project. 2020. "Materials Data on SnPbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1705533. https://www.osti.gov/servlets/purl/1705533. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1705533,
title = {Materials Data on SnPbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbSnSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Se2- atoms to form PbSe6 octahedra that share corners with six equivalent SnSe6 octahedra, edges with six equivalent PbSe6 octahedra, and edges with six equivalent SnSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pb–Se bond lengths are 3.10 Å. Sn2+ is bonded to six equivalent Se2- atoms to form SnSe6 octahedra that share corners with six equivalent PbSe6 octahedra, edges with six equivalent PbSe6 octahedra, and edges with six equivalent SnSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Sn–Se bond lengths are 3.04 Å. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form a mixture of edge and corner-sharing SeSn3Pb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1705533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}