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Title: Materials Data on Cu6PbO8 by Materials Project

Abstract

Cu6PbO8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra, edges with two equivalent PbO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Cu–O bond lengths are 2.16 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share edges with twelve equivalent CuO6 octahedra. All Pb–O bond lengths are 2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Cu2+ atoms to form OCu6 octahedra that share corners with six equivalent OCu6 octahedra and edges with twelve equivalent OCu4Pb square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Cu2+ and one Pb4+ atom to form OCu4Pb square pyramids that share corners with nine equivalent OCu4Pb square pyramids, edges with four equivalent OCu6 octahedra, and edges with four equivalent OCu4Pb square pyramids.

Publication Date:
Other Number(s):
mp-22037
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; Cu6PbO8; Cu-O-Pb
OSTI Identifier:
1197306
DOI:
https://doi.org/10.17188/1197306

Citation Formats

The Materials Project. Materials Data on Cu6PbO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197306.
The Materials Project. Materials Data on Cu6PbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1197306
The Materials Project. 2020. "Materials Data on Cu6PbO8 by Materials Project". United States. doi:https://doi.org/10.17188/1197306. https://www.osti.gov/servlets/purl/1197306. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197306,
title = {Materials Data on Cu6PbO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu6PbO8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent CuO6 octahedra, edges with two equivalent PbO6 octahedra, and edges with eight equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Cu–O bond lengths are 2.16 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share edges with twelve equivalent CuO6 octahedra. All Pb–O bond lengths are 2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Cu2+ atoms to form OCu6 octahedra that share corners with six equivalent OCu6 octahedra and edges with twelve equivalent OCu4Pb square pyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Cu2+ and one Pb4+ atom to form OCu4Pb square pyramids that share corners with nine equivalent OCu4Pb square pyramids, edges with four equivalent OCu6 octahedra, and edges with four equivalent OCu4Pb square pyramids.},
doi = {10.17188/1197306},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}