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Title: Materials Data on Pb3SO6 by Materials Project

Abstract

Pb3O2(SO4) crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Pb3O2(SO4) sheet oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.94 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.47 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.57 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 six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixturemore » of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one S6+ atom. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.« less

Publication Date:
Other Number(s):
mp-559143
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; Pb3SO6; O-Pb-S
OSTI Identifier:
1270696
DOI:
10.17188/1270696

Citation Formats

The Materials Project. Materials Data on Pb3SO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270696.
The Materials Project. Materials Data on Pb3SO6 by Materials Project. United States. doi:10.17188/1270696.
The Materials Project. 2020. "Materials Data on Pb3SO6 by Materials Project". United States. doi:10.17188/1270696. https://www.osti.gov/servlets/purl/1270696. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270696,
title = {Materials Data on Pb3SO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3O2(SO4) crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Pb3O2(SO4) sheet oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–2.94 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.47 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.57 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 six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Pb2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one S6+ atom. In the third O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one S6+ atom. In the fifth O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1270696},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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