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Title: Materials Data on PdAuO2 by Materials Project

Abstract

PdAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. In the second Pd2+ site, Pd2+ is bonded to six O2- atoms to form edge-sharing PdO6 octahedra. There are four shorter (2.06 Å) and two longer (2.13 Å) Pd–O bond lengths. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.09 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pd2+ and one Au2+ atom to form a mixture of corner and edge-sharing OPd3Au tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pd2+ and one Au2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-997090
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; PdAuO2; Au-O-Pd
OSTI Identifier:
1317176
DOI:
https://doi.org/10.17188/1317176

Citation Formats

The Materials Project. Materials Data on PdAuO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317176.
The Materials Project. Materials Data on PdAuO2 by Materials Project. United States. doi:https://doi.org/10.17188/1317176
The Materials Project. 2020. "Materials Data on PdAuO2 by Materials Project". United States. doi:https://doi.org/10.17188/1317176. https://www.osti.gov/servlets/purl/1317176. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317176,
title = {Materials Data on PdAuO2 by Materials Project},
author = {The Materials Project},
abstractNote = {PdAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. In the second Pd2+ site, Pd2+ is bonded to six O2- atoms to form edge-sharing PdO6 octahedra. There are four shorter (2.06 Å) and two longer (2.13 Å) Pd–O bond lengths. Au2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.03 Å) and one longer (2.09 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pd2+ and one Au2+ atom to form a mixture of corner and edge-sharing OPd3Au tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pd2+ and one Au2+ atom.},
doi = {10.17188/1317176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}