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Title: Materials Data on Cs2PbO3 by Materials Project

Abstract

Cs2PbO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.63 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are one shorter (2.07 Å) and four longer (2.23 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Pb4+ atoms to form a mixture of distorted edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–48°.

Publication Date:
Other Number(s):
mp-21283
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; Cs2PbO3; Cs-O-Pb
OSTI Identifier:
1196595
DOI:
10.17188/1196595

Citation Formats

The Materials Project. Materials Data on Cs2PbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196595.
The Materials Project. Materials Data on Cs2PbO3 by Materials Project. United States. doi:10.17188/1196595.
The Materials Project. 2020. "Materials Data on Cs2PbO3 by Materials Project". United States. doi:10.17188/1196595. https://www.osti.gov/servlets/purl/1196595. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1196595,
title = {Materials Data on Cs2PbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2PbO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.63 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are one shorter (2.07 Å) and four longer (2.23 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Pb4+ atom. In the second O2- site, O2- is bonded to four equivalent Cs1+ and two equivalent Pb4+ atoms to form a mixture of distorted edge, face, and corner-sharing OCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–48°.},
doi = {10.17188/1196595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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