U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2V2P2O11 by Materials Project
Abstract
Li2V2P2O11 crystallizes in the orthorhombic P2_12_12 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 1.89–2.78 Å. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.02 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.57 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V5+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one V5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in amore »
- Publication Date:
- Other Number(s):
- mp-1202181
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Li-O-P-V; Li2V2P2O11; crystal structure
- OSTI Identifier:
- 1740615
- DOI:
- https://doi.org/10.17188/1740615
Citation Formats
Materials Data on Li2V2P2O11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740615.
Materials Data on Li2V2P2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1740615
2020.
"Materials Data on Li2V2P2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1740615. https://www.osti.gov/servlets/purl/1740615. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740615,
title = {Materials Data on Li2V2P2O11 by Materials Project},
abstractNote = {Li2V2P2O11 crystallizes in the orthorhombic P2_12_12 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 1.89–2.78 Å. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.02 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.57 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Li1+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one V5+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to one V5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one V5+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+ and one V5+ atom.},
doi = {10.17188/1740615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}