Materials Data on PbAuO2 by Materials Project
AuPbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.06 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au2+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb3Au tetrahedra. In the second O2- site, O2- is bonded to two Au2+ and two equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb2Au2 tetrahedra.
- 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:
- 1317198
- Report Number(s):
- mp-997109
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on PbAuO2 by Materials Project
Materials Data on PbAuO2 by Materials Project