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Title: Materials Data on Li2PbO3 by Materials Project

Abstract

Li2PbO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.12 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.43 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.94 Å) and two longer (2.20 Å) Li–O bond lengths. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.63 Å. In the second Pb4+ site, Pb4+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.14–2.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Li1+ and two Pb4+ atoms. In the second O2- site,more » O2- is bonded in a 4-coordinate geometry to two Li1+ and three Pb4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Li1+ and two Pb4+ atoms.« less

Publication Date:
Other Number(s):
mp-674176
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; Li2PbO3; Li-O-Pb
OSTI Identifier:
1282446
DOI:
10.17188/1282446

Citation Formats

The Materials Project. Materials Data on Li2PbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282446.
The Materials Project. Materials Data on Li2PbO3 by Materials Project. United States. doi:10.17188/1282446.
The Materials Project. 2020. "Materials Data on Li2PbO3 by Materials Project". United States. doi:10.17188/1282446. https://www.osti.gov/servlets/purl/1282446. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1282446,
title = {Materials Data on Li2PbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PbO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.12 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.10–2.43 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.94 Å) and two longer (2.20 Å) Li–O bond lengths. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.25–2.63 Å. In the second Pb4+ site, Pb4+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.14–2.31 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Li1+ and two Pb4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+ and three Pb4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Li1+ and two Pb4+ atoms.},
doi = {10.17188/1282446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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