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Title: Materials Data on PbAuO2 by Materials Project

Abstract

AuPbO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. 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 four shorter (2.51 Å) and two longer (2.56 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 two shorter (2.24 Å) and four longer (2.35 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.

Publication Date:
Other Number(s):
mp-997014
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; PbAuO2; Au-O-Pb
OSTI Identifier:
1317132
DOI:
https://doi.org/10.17188/1317132

Citation Formats

The Materials Project. Materials Data on PbAuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317132.
The Materials Project. Materials Data on PbAuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317132
The Materials Project. 2020. "Materials Data on PbAuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317132. https://www.osti.gov/servlets/purl/1317132. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317132,
title = {Materials Data on PbAuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuPbO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. 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 four shorter (2.51 Å) and two longer (2.56 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 two shorter (2.24 Å) and four longer (2.35 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 = {10.17188/1317132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}