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Title: Materials Data on AgAuO3 by Materials Project

Abstract

AuAgO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.26 Å) Au–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.73 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.16–2.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Au5+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Au5+ and three Ag1+ atoms.

Publication Date:
Other Number(s):
mp-752678
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; AgAuO3; Ag-Au-O
OSTI Identifier:
1288730
DOI:
https://doi.org/10.17188/1288730

Citation Formats

The Materials Project. Materials Data on AgAuO3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1288730.
The Materials Project. Materials Data on AgAuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1288730
The Materials Project. 2017. "Materials Data on AgAuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1288730. https://www.osti.gov/servlets/purl/1288730. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1288730,
title = {Materials Data on AgAuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {AuAgO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.09 Å) and two longer (2.26 Å) Au–O bond lengths. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (2.73 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form edge-sharing AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.16–2.63 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Au5+ and one O2- atom. The O–O bond length is 1.36 Å. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one O2- atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Au5+ and three Ag1+ atoms.},
doi = {10.17188/1288730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}