U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVPO5 by Materials Project
Abstract
LiVOPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.64 Å. V4+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share corners with three equivalent PO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.75–2.12 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent VO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one V4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the fifth O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767598
- 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; LiVPO5; Li-O-P-V
- OSTI Identifier:
- 1297725
- DOI:
- https://doi.org/10.17188/1297725
Citation Formats
The Materials Project. Materials Data on LiVPO5 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1297725.
The Materials Project. Materials Data on LiVPO5 by Materials Project. United States. doi:https://doi.org/10.17188/1297725
The Materials Project. 2017.
"Materials Data on LiVPO5 by Materials Project". United States. doi:https://doi.org/10.17188/1297725. https://www.osti.gov/servlets/purl/1297725. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1297725,
title = {Materials Data on LiVPO5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVOPO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.96–2.64 Å. V4+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share corners with three equivalent PO4 tetrahedra and corners with two equivalent VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.75–2.12 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent VO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one V4+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+ and one P5+ atom.},
doi = {10.17188/1297725},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}