Materials Data on Cu6PbO8 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197306
- Report Number(s):
- mp-22037
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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