Materials Data on TlV4O10 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1193547
- Report Number(s):
- mp-18842
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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