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Title: Materials Data on AlAgO2 by Materials Project

Abstract

AgAlO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra and corners with eight equivalent AlO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.38–2.54 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with eight equivalent AgO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Al3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-11794
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; AlAgO2; Ag-Al-O
OSTI Identifier:
1188383
DOI:
10.17188/1188383

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on AlAgO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188383.
Persson, Kristin, & Project, Materials. Materials Data on AlAgO2 by Materials Project. United States. doi:10.17188/1188383.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on AlAgO2 by Materials Project". United States. doi:10.17188/1188383. https://www.osti.gov/servlets/purl/1188383. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188383,
title = {Materials Data on AlAgO2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgAlO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra and corners with eight equivalent AlO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.38–2.54 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with eight equivalent AgO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Al3+ atoms.},
doi = {10.17188/1188383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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