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Title: 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 » distorted single-bond geometry to one Li1+ and one V5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1202181
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; Li2V2P2O11; Li-O-P-V
OSTI Identifier:
1740615
DOI:
https://doi.org/10.17188/1740615

Citation Formats

The Materials Project. Materials Data on Li2V2P2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740615.
The Materials Project. Materials Data on Li2V2P2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1740615
The Materials Project. 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},
author = {The 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}
}