Materials Data on TlV2AgO6 by Materials Project
Abstract
AgTl(VO3)2 is Esseneite structured and 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 three equivalent AgO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–58°. There are a spread of V–O bond distances ranging from 1.68–1.83 Å. Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.42–2.56 Å. Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.71–3.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+, one Ag1+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+, two equivalent Ag1+, and one Tl1+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18853
- 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; TlV2AgO6; Ag-O-Tl-V
- OSTI Identifier:
- 1193559
- DOI:
- https://doi.org/10.17188/1193559
Citation Formats
The Materials Project. Materials Data on TlV2AgO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193559.
The Materials Project. Materials Data on TlV2AgO6 by Materials Project. United States. doi:https://doi.org/10.17188/1193559
The Materials Project. 2020.
"Materials Data on TlV2AgO6 by Materials Project". United States. doi:https://doi.org/10.17188/1193559. https://www.osti.gov/servlets/purl/1193559. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1193559,
title = {Materials Data on TlV2AgO6 by Materials Project},
author = {The Materials Project},
abstractNote = {AgTl(VO3)2 is Esseneite structured and 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 three equivalent AgO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 30–58°. There are a spread of V–O bond distances ranging from 1.68–1.83 Å. Ag1+ is bonded to six O2- atoms to form AgO6 octahedra that share corners with six equivalent VO4 tetrahedra and edges with two equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.42–2.56 Å. Tl1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.71–3.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+, one Ag1+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+, two equivalent Ag1+, and one Tl1+ atom.},
doi = {10.17188/1193559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}