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Title: Materials Data on AgAsPbS3 by Materials Project

Abstract

AgPbAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–3.57 Å. Pb2+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing PbS6 pentagonal pyramids. There are a spread of Pb–S bond distances ranging from 2.85–3.35 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ag1+, three equivalent Pb2+, and one As3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+, one Pb2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and one As3+ atom.

Publication Date:
Other Number(s):
mp-22665
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; AgAsPbS3; Ag-As-Pb-S
OSTI Identifier:
1198876
DOI:
10.17188/1198876

Citation Formats

The Materials Project. Materials Data on AgAsPbS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198876.
The Materials Project. Materials Data on AgAsPbS3 by Materials Project. United States. doi:10.17188/1198876.
The Materials Project. 2020. "Materials Data on AgAsPbS3 by Materials Project". United States. doi:10.17188/1198876. https://www.osti.gov/servlets/purl/1198876. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1198876,
title = {Materials Data on AgAsPbS3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgPbAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–3.57 Å. Pb2+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing PbS6 pentagonal pyramids. There are a spread of Pb–S bond distances ranging from 2.85–3.35 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ag1+, three equivalent Pb2+, and one As3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+, one Pb2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and one As3+ atom.},
doi = {10.17188/1198876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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