skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ScAgO3 by Materials Project

Abstract

ScAgO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Sc–O bond distances ranging from 2.06–2.33 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four O2- atoms. All Ag–O bond lengths are 1.99 Å. In the second Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Sc3+ and one Ag3+ atom. In the second O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OSc2Ag2 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Sc3+ and one Ag3+ atom.

Publication Date:
Other Number(s):
mp-776150
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; ScAgO3; Ag-O-Sc
OSTI Identifier:
1304153
DOI:
10.17188/1304153

Citation Formats

The Materials Project. Materials Data on ScAgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304153.
The Materials Project. Materials Data on ScAgO3 by Materials Project. United States. doi:10.17188/1304153.
The Materials Project. 2020. "Materials Data on ScAgO3 by Materials Project". United States. doi:10.17188/1304153. https://www.osti.gov/servlets/purl/1304153. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1304153,
title = {Materials Data on ScAgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScAgO3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Sc–O bond distances ranging from 2.06–2.33 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four O2- atoms. All Ag–O bond lengths are 1.99 Å. In the second Ag3+ site, Ag3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Sc3+ and one Ag3+ atom. In the second O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Ag3+ atoms to form a mixture of edge and corner-sharing OSc2Ag2 tetrahedra. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Sc3+ and one Ag3+ atom.},
doi = {10.17188/1304153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: