U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-624691
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; VAgO3; Ag-O-V
- OSTI Identifier:
- 1278275
- DOI:
- https://doi.org/10.17188/1278275
Citation Formats
The Materials Project. Materials Data on VAgO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278275.
The Materials Project. Materials Data on VAgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1278275
The Materials Project. 2020.
"Materials Data on VAgO3 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}