U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VAg(SO4)2 by Materials Project
Abstract
VAg(SO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are two shorter (2.03 Å) and four longer (2.04 Å) V–O bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.55 Å) and four longer (2.67 Å) Ag–O bond lengths. S5+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–46°. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Ag1+, and one S5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207873
- 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; VAg(SO4)2; Ag-O-S-V
- OSTI Identifier:
- 1667178
- DOI:
- https://doi.org/10.17188/1667178
Citation Formats
The Materials Project. Materials Data on VAg(SO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1667178.
The Materials Project. Materials Data on VAg(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1667178
The Materials Project. 2019.
"Materials Data on VAg(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1667178. https://www.osti.gov/servlets/purl/1667178. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1667178,
title = {Materials Data on VAg(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {VAg(SO4)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are two shorter (2.03 Å) and four longer (2.04 Å) V–O bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.55 Å) and four longer (2.67 Å) Ag–O bond lengths. S5+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–46°. There are a spread of S–O bond distances ranging from 1.45–1.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Ag1+, and one S5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one S5+ atom.},
doi = {10.17188/1667178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}