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Title: Materials Data on SnTePbSe by Materials Project

Abstract

PbSnSeTe is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form PbTe3Se3 octahedra that share corners with six equivalent SnTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.12 Å. Sn2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form SnTe3Se3 octahedra that share corners with six equivalent PbTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Sn–Te bond lengths are 3.19 Å. All Sn–Se bond lengths are 3.08 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form TeSn3Pb3 octahedra that share corners with six equivalent SeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form SeSn3Pb3 octahedra that share corners with sixmore » equivalent TeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°.« less

Publication Date:
Other Number(s):
mp-1218892
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; SnTePbSe; Pb-Se-Sn-Te
OSTI Identifier:
1742135
DOI:
https://doi.org/10.17188/1742135

Citation Formats

The Materials Project. Materials Data on SnTePbSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742135.
The Materials Project. Materials Data on SnTePbSe by Materials Project. United States. doi:https://doi.org/10.17188/1742135
The Materials Project. 2020. "Materials Data on SnTePbSe by Materials Project". United States. doi:https://doi.org/10.17188/1742135. https://www.osti.gov/servlets/purl/1742135. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1742135,
title = {Materials Data on SnTePbSe by Materials Project},
author = {The Materials Project},
abstractNote = {PbSnSeTe is Caswellsilverite-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Pb2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form PbTe3Se3 octahedra that share corners with six equivalent SnTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Pb–Te bond lengths are 3.26 Å. All Pb–Se bond lengths are 3.12 Å. Sn2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form SnTe3Se3 octahedra that share corners with six equivalent PbTe3Se3 octahedra, edges with six equivalent PbTe3Se3 octahedra, and edges with six equivalent SnTe3Se3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Sn–Te bond lengths are 3.19 Å. All Sn–Se bond lengths are 3.08 Å. Te2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form TeSn3Pb3 octahedra that share corners with six equivalent SeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. Se2- is bonded to three equivalent Pb2+ and three equivalent Sn2+ atoms to form SeSn3Pb3 octahedra that share corners with six equivalent TeSn3Pb3 octahedra, edges with six equivalent TeSn3Pb3 octahedra, and edges with six equivalent SeSn3Pb3 octahedra. The corner-sharing octahedra tilt angles range from 3–4°.},
doi = {10.17188/1742135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}