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Title: Materials Data on Ag3IrO4 by Materials Project

Abstract

IrAg3O4 is Orthorhombic Perovskite-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Ir5+ is bonded to six O2- atoms to form edge-sharing IrO6 octahedra. There are a spread of Ir–O bond distances ranging from 1.96–2.01 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.44 Å) and two longer (2.45 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.18 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Ir5+ and four Ag1+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ir5+ and two equivalent Ag1+ atoms.

Publication Date:
Other Number(s):
mp-776370
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; Ag3IrO4; Ag-Ir-O
OSTI Identifier:
1304250
DOI:
10.17188/1304250

Citation Formats

The Materials Project. Materials Data on Ag3IrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304250.
The Materials Project. Materials Data on Ag3IrO4 by Materials Project. United States. doi:10.17188/1304250.
The Materials Project. 2020. "Materials Data on Ag3IrO4 by Materials Project". United States. doi:10.17188/1304250. https://www.osti.gov/servlets/purl/1304250. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1304250,
title = {Materials Data on Ag3IrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {IrAg3O4 is Orthorhombic Perovskite-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Ir5+ is bonded to six O2- atoms to form edge-sharing IrO6 octahedra. There are a spread of Ir–O bond distances ranging from 1.96–2.01 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.44 Å) and two longer (2.45 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a bent 150 degrees geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.18 Å. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.33–2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Ir5+ and four Ag1+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ir5+ and two equivalent Ag1+ atoms.},
doi = {10.17188/1304250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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