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Title: Materials Data on VAgO3 by Materials Project

Abstract

AgVO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with seven AgO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–68°. There are a spread of V–O bond distances ranging from 1.68–1.83 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with eight equivalent VO4 tetrahedra and edges with three equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.46–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with five AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.41–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one Ag1+ atom. In the third O2- site,more » O2- is bonded in a 1-coordinate geometry to one V5+ and three Ag1+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-624691
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; VAgO3; Ag-O-V
OSTI Identifier:
1278275
DOI:
10.17188/1278275

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on VAgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278275.
Persson, Kristin, & Project, Materials. Materials Data on VAgO3 by Materials Project. United States. doi:10.17188/1278275.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on VAgO3 by Materials Project". United States. doi:10.17188/1278275. https://www.osti.gov/servlets/purl/1278275. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1278275,
title = {Materials Data on VAgO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {AgVO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with seven AgO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–68°. There are a spread of V–O bond distances ranging from 1.68–1.83 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with eight equivalent VO4 tetrahedra and edges with three equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.46–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with five AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.41–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Ag1+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and three Ag1+ atoms.},
doi = {10.17188/1278275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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