U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3V2(NiO4)2 by Materials Project
Abstract
LiVO2(LiNiO2)2VO2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one vanadium;dihydrate molecule; one LiVO2 ribbon oriented in the (1, 1, 1) direction; and two LiNiO2 sheets oriented in the (0, -1, 1) direction. In the LiVO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.68 Å. V+4.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both V–O bond lengths are 1.35 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one V+4.50+ atom. In each LiNiO2 sheet, Li1+ is bonded in a linear geometry to two O2- atoms. Both Li–O bond lengths are 1.52 Å. Ni2+ is bonded in a linear geometry to four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.51–6.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Ni2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1177514
- 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; Li3V2(NiO4)2; Li-Ni-O-V
- OSTI Identifier:
- 1656281
- DOI:
- https://doi.org/10.17188/1656281
Citation Formats
The Materials Project. Materials Data on Li3V2(NiO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1656281.
The Materials Project. Materials Data on Li3V2(NiO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656281
The Materials Project. 2020.
"Materials Data on Li3V2(NiO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656281. https://www.osti.gov/servlets/purl/1656281. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1656281,
title = {Materials Data on Li3V2(NiO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVO2(LiNiO2)2VO2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one vanadium;dihydrate molecule; one LiVO2 ribbon oriented in the (1, 1, 1) direction; and two LiNiO2 sheets oriented in the (0, -1, 1) direction. In the LiVO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.68 Å. V+4.50+ is bonded in a linear geometry to two equivalent O2- atoms. Both V–O bond lengths are 1.35 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one V+4.50+ atom. In each LiNiO2 sheet, Li1+ is bonded in a linear geometry to two O2- atoms. Both Li–O bond lengths are 1.52 Å. Ni2+ is bonded in a linear geometry to four O2- atoms. There are a spread of Ni–O bond distances ranging from 1.51–6.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1656281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}