DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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 » 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.« less

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 = {2020},
month = {4}
}