Materials Data on TlV4O10 by Materials Project
Abstract
V4TlO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.49 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.00 Å. Tl1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Tl–O bond lengths are 2.97 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Tl1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18842
- 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; TlV4O10; O-Tl-V
- OSTI Identifier:
- 1193547
- DOI:
- https://doi.org/10.17188/1193547
Citation Formats
The Materials Project. Materials Data on TlV4O10 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1193547.
The Materials Project. Materials Data on TlV4O10 by Materials Project. United States. doi:https://doi.org/10.17188/1193547
The Materials Project. 2014.
"Materials Data on TlV4O10 by Materials Project". United States. doi:https://doi.org/10.17188/1193547. https://www.osti.gov/servlets/purl/1193547. Pub date:Sat Feb 15 00:00:00 EST 2014
@article{osti_1193547,
title = {Materials Data on TlV4O10 by Materials Project},
author = {The Materials Project},
abstractNote = {V4TlO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.49 Å. In the second V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.00 Å. Tl1+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Tl–O bond lengths are 2.97 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Tl1+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.75+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one V+4.75+ and two equivalent Tl1+ atoms.},
doi = {10.17188/1193547},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Feb 15 00:00:00 EST 2014},
month = {Sat Feb 15 00:00:00 EST 2014}
}