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Title: Materials Data on PbSO4 by Materials Project

Abstract

PbSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–3.02 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one S6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-623984
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; PbSO4; O-Pb-S
OSTI Identifier:
1278227
DOI:
10.17188/1278227

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PbSO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278227.
Persson, Kristin, & Project, Materials. Materials Data on PbSO4 by Materials Project. United States. doi:10.17188/1278227.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PbSO4 by Materials Project". United States. doi:10.17188/1278227. https://www.osti.gov/servlets/purl/1278227. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278227,
title = {Materials Data on PbSO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PbSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–3.02 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one S6+ atom.},
doi = {10.17188/1278227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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