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Title: Materials Data on Ca2PbO4 by Materials Project

Abstract

Ca2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.84 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.28 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OCa4Pb trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1196409
Report Number(s):
mp-21137
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ca2PbO4; Ca-O-Pb

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca2PbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196409.
Persson, Kristin, & Project, Materials. Materials Data on Ca2PbO4 by Materials Project. United States. https://doi.org/10.17188/1196409
Persson, Kristin, and Project, Materials. Wed . "Materials Data on Ca2PbO4 by Materials Project". United States. https://doi.org/10.17188/1196409. https://www.osti.gov/servlets/purl/1196409.
@article{osti_1196409,
title = {Materials Data on Ca2PbO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca2PbO4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.84 Å. Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.16 Å) and four longer (2.28 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ca2+ and two equivalent Pb4+ atoms to form a mixture of distorted edge and corner-sharing OCa3Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to four equivalent Ca2+ and one Pb4+ atom to form a mixture of distorted edge and corner-sharing OCa4Pb trigonal bipyramids.},
doi = {10.17188/1196409},
url = {https://www.osti.gov/biblio/1196409}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}