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Title: Materials Data on Na3Li3Ti2F12 by Materials Project

Abstract

Na3Li3Ti2F12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.42 Å) and four longer (2.58 Å) Na–F bond lengths. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Li–F bond lengths are 1.89 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent LiF4 tetrahedra. All Ti–F bond lengths are 2.00 Å. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Li1+, and one Ti3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-14457
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; Na3Li3Ti2F12; F-Li-Na-Ti
OSTI Identifier:
1190688
DOI:
https://doi.org/10.17188/1190688

Citation Formats

The Materials Project. Materials Data on Na3Li3Ti2F12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190688.
The Materials Project. Materials Data on Na3Li3Ti2F12 by Materials Project. United States. doi:https://doi.org/10.17188/1190688
The Materials Project. 2020. "Materials Data on Na3Li3Ti2F12 by Materials Project". United States. doi:https://doi.org/10.17188/1190688. https://www.osti.gov/servlets/purl/1190688. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1190688,
title = {Materials Data on Na3Li3Ti2F12 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Li3Ti2F12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent F1- atoms. There are four shorter (2.42 Å) and four longer (2.58 Å) Na–F bond lengths. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Li–F bond lengths are 1.89 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent LiF4 tetrahedra. All Ti–F bond lengths are 2.00 Å. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Li1+, and one Ti3+ atom.},
doi = {10.17188/1190688},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}