Materials Data on V2NiO6 by Materials Project
Abstract
NiV2O6 is Low Tridymite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Ni2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.94–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fifth O2- site, O2- is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1012103
- 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; V2NiO6; Ni-O-V
- OSTI Identifier:
- 1328160
- DOI:
- https://doi.org/10.17188/1328160
Citation Formats
The Materials Project. Materials Data on V2NiO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1328160.
The Materials Project. Materials Data on V2NiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1328160
The Materials Project. 2020.
"Materials Data on V2NiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1328160. https://www.osti.gov/servlets/purl/1328160. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1328160,
title = {Materials Data on V2NiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NiV2O6 is Low Tridymite-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.81 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Ni2+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.94–1.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one V5+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Ni2+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two V5+ atoms.},
doi = {10.17188/1328160},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}