U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PbAuO2 by Materials Project
Abstract
AuPbO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.04 Å) Au–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.23 Å) and four longer (2.34 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.52 Å) and two longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra. In the second O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-997043
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PbAuO2; Au-O-Pb
- OSTI Identifier:
- 1317161
- DOI:
- https://doi.org/10.17188/1317161
Citation Formats
The Materials Project. Materials Data on PbAuO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317161.
The Materials Project. Materials Data on PbAuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317161
The Materials Project. 2020.
"Materials Data on PbAuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317161. https://www.osti.gov/servlets/purl/1317161. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317161,
title = {Materials Data on PbAuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuPbO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.04 Å) Au–O bond lengths. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.23 Å) and four longer (2.34 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are four shorter (2.52 Å) and two longer (2.57 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra. In the second O2- site, O2- is bonded to one Au2+ and three Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra.},
doi = {10.17188/1317161},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}