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Title: Materials Data on LiV3O6 by Materials Project

Abstract

LiV3O6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.36–2.46 Å. There are three inequivalent V+3.67+ sites. In the first V+3.67+ site, V+3.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.54 Å. In the second V+3.67+ site, V+3.67+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.44 Å) V–O bond length. In the third V+3.67+ site, V+3.67+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+3.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.67+ atoms. In the fourth O2- site, O2- is bondedmore » in a 1-coordinate geometry to one Li1+ and two V+3.67+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and one V+3.67+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three V+3.67+ atoms.« less

Publication Date:
Other Number(s):
mp-1176549
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; LiV3O6; Li-O-V
OSTI Identifier:
1744489
DOI:
https://doi.org/10.17188/1744489

Citation Formats

The Materials Project. Materials Data on LiV3O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744489.
The Materials Project. Materials Data on LiV3O6 by Materials Project. United States. doi:https://doi.org/10.17188/1744489
The Materials Project. 2020. "Materials Data on LiV3O6 by Materials Project". United States. doi:https://doi.org/10.17188/1744489. https://www.osti.gov/servlets/purl/1744489. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744489,
title = {Materials Data on LiV3O6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV3O6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Li1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.36–2.46 Å. There are three inequivalent V+3.67+ sites. In the first V+3.67+ site, V+3.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.54 Å. In the second V+3.67+ site, V+3.67+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.44 Å) V–O bond length. In the third V+3.67+ site, V+3.67+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.00 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+3.67+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V+3.67+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two V+3.67+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+ and two V+3.67+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+ and one V+3.67+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three V+3.67+ atoms.},
doi = {10.17188/1744489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}