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Title: Materials Data on SnPbS2 by Materials Project

Abstract

PbSnS2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.50 Å. Sn2+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.59 Å) and two longer (2.68 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Pb2+ and two equivalent Sn2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pb2+ and one Sn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1218951
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; SnPbS2; Pb-S-Sn
OSTI Identifier:
1681356
DOI:
https://doi.org/10.17188/1681356

Citation Formats

The Materials Project. Materials Data on SnPbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681356.
The Materials Project. Materials Data on SnPbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1681356
The Materials Project. 2020. "Materials Data on SnPbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1681356. https://www.osti.gov/servlets/purl/1681356. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681356,
title = {Materials Data on SnPbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbSnS2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.50 Å. Sn2+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.59 Å) and two longer (2.68 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Pb2+ and two equivalent Sn2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pb2+ and one Sn2+ atom.},
doi = {10.17188/1681356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}