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Title: Materials Data on LiV5O10 by Materials Project

Abstract

LiV5O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.61 Å. There are five inequivalent V+3.80+ sites. In the first V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 17–25°. There are a spread of V–O bond distances ranging from 1.92–1.99 Å. In the second V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 17–21°. There are a spread of V–O bond distances ranging from 1.90–2.04 Å. In the third V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of V–O bond distances ranging from 1.99–2.05 Å. In the fourth V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spreadmore » of V–O bond distances ranging from 1.89–2.06 Å. In the fifth V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of V–O bond distances ranging from 1.90–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three V+3.80+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+3.80+ atoms. In the third O2- site, O2- is bonded in a T-shaped geometry to three V+3.80+ atoms. In the fourth O2- site, O2- is bonded to one Li1+ and three V+3.80+ atoms to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the fifth O2- site, O2- is bonded in a distorted square co-planar geometry to one Li1+ and three V+3.80+ atoms.« less

Publication Date:
Other Number(s):
mp-1222710
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiV5O10; Li-O-V
OSTI Identifier:
1652667
DOI:
https://doi.org/10.17188/1652667

Citation Formats

The Materials Project. Materials Data on LiV5O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652667.
The Materials Project. Materials Data on LiV5O10 by Materials Project. United States. doi:https://doi.org/10.17188/1652667
The Materials Project. 2020. "Materials Data on LiV5O10 by Materials Project". United States. doi:https://doi.org/10.17188/1652667. https://www.osti.gov/servlets/purl/1652667. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1652667,
title = {Materials Data on LiV5O10 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV5O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.61 Å. There are five inequivalent V+3.80+ sites. In the first V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 17–25°. There are a spread of V–O bond distances ranging from 1.92–1.99 Å. In the second V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 17–21°. There are a spread of V–O bond distances ranging from 1.90–2.04 Å. In the third V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are a spread of V–O bond distances ranging from 1.99–2.05 Å. In the fourth V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of V–O bond distances ranging from 1.89–2.06 Å. In the fifth V+3.80+ site, V+3.80+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of V–O bond distances ranging from 1.90–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three V+3.80+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+3.80+ atoms. In the third O2- site, O2- is bonded in a T-shaped geometry to three V+3.80+ atoms. In the fourth O2- site, O2- is bonded to one Li1+ and three V+3.80+ atoms to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the fifth O2- site, O2- is bonded in a distorted square co-planar geometry to one Li1+ and three V+3.80+ atoms.},
doi = {10.17188/1652667},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}