skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SbPbS2 by Materials Project

Abstract

PbSbS2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two PbSbS2 sheets oriented in the (0, 1, 0) direction. Pb2+ is bonded to five S atoms to form PbS5 square pyramids that share corners with four equivalent PbS5 square pyramids, edges with four equivalent PbS5 square pyramids, and edges with four equivalent SbS5 square pyramids. There are one shorter (2.88 Å) and four longer (2.95 Å) Pb–S bond lengths. Sb2- is bonded to five S atoms to form SbS5 square pyramids that share corners with four equivalent SbS5 square pyramids, edges with four equivalent PbS5 square pyramids, and edges with four equivalent SbS5 square pyramids. There are one shorter (2.54 Å) and four longer (2.92 Å) Sb–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to one Pb2+ and four equivalent Sb2- atoms to form a mixture of edge and corner-sharing SSb4Pb square pyramids. In the second S site, S is bonded to four equivalent Pb2+ and one Sb2- atom to form distorted SSbPb4 square pyramids that share corners with four equivalent SSbPb4 square pyramids and edges with eight SSb4Pb square pyramids.

Publication Date:
Other Number(s):
mp-1219470
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; SbPbS2; Pb-S-Sb
OSTI Identifier:
1685964
DOI:
https://doi.org/10.17188/1685964

Citation Formats

The Materials Project. Materials Data on SbPbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685964.
The Materials Project. Materials Data on SbPbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1685964
The Materials Project. 2020. "Materials Data on SbPbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1685964. https://www.osti.gov/servlets/purl/1685964. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685964,
title = {Materials Data on SbPbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbSbS2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two PbSbS2 sheets oriented in the (0, 1, 0) direction. Pb2+ is bonded to five S atoms to form PbS5 square pyramids that share corners with four equivalent PbS5 square pyramids, edges with four equivalent PbS5 square pyramids, and edges with four equivalent SbS5 square pyramids. There are one shorter (2.88 Å) and four longer (2.95 Å) Pb–S bond lengths. Sb2- is bonded to five S atoms to form SbS5 square pyramids that share corners with four equivalent SbS5 square pyramids, edges with four equivalent PbS5 square pyramids, and edges with four equivalent SbS5 square pyramids. There are one shorter (2.54 Å) and four longer (2.92 Å) Sb–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to one Pb2+ and four equivalent Sb2- atoms to form a mixture of edge and corner-sharing SSb4Pb square pyramids. In the second S site, S is bonded to four equivalent Pb2+ and one Sb2- atom to form distorted SSbPb4 square pyramids that share corners with four equivalent SSbPb4 square pyramids and edges with eight SSb4Pb square pyramids.},
doi = {10.17188/1685964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}