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Title: Materials Data on LiVF3 by Materials Project

Abstract

LiVF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with three equivalent VF6 octahedra, corners with six equivalent LiF6 octahedra, edges with three equivalent VF6 octahedra, and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.09 Å) and three longer (2.15 Å) Li–F bond lengths. V2+ is bonded to six equivalent F1- atoms to form distorted VF6 octahedra that share corners with three equivalent LiF6 octahedra, corners with six equivalent VF6 octahedra, edges with three equivalent LiF6 octahedra, and a faceface with one LiF6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.11 Å) and three longer (2.14 Å) V–F bond lengths. F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-778509
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; LiVF3; F-Li-V
OSTI Identifier:
1305591
DOI:
10.17188/1305591

Citation Formats

The Materials Project. Materials Data on LiVF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305591.
The Materials Project. Materials Data on LiVF3 by Materials Project. United States. doi:10.17188/1305591.
The Materials Project. 2020. "Materials Data on LiVF3 by Materials Project". United States. doi:10.17188/1305591. https://www.osti.gov/servlets/purl/1305591. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1305591,
title = {Materials Data on LiVF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with three equivalent VF6 octahedra, corners with six equivalent LiF6 octahedra, edges with three equivalent VF6 octahedra, and a faceface with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. There are three shorter (2.09 Å) and three longer (2.15 Å) Li–F bond lengths. V2+ is bonded to six equivalent F1- atoms to form distorted VF6 octahedra that share corners with three equivalent LiF6 octahedra, corners with six equivalent VF6 octahedra, edges with three equivalent LiF6 octahedra, and a faceface with one LiF6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are three shorter (2.11 Å) and three longer (2.14 Å) V–F bond lengths. F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form a mixture of distorted edge and corner-sharing FLi2V2 trigonal pyramids.},
doi = {10.17188/1305591},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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