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Title: Materials Data on Na3Li3In2F12 by Materials Project

Abstract

Na3In2Li3F12 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 (2.46 Å) and four longer (2.59 Å) Na–F bond lengths. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Li–F bond lengths are 1.89 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent LiF4 tetrahedra. All In–F bond lengths are 2.11 Å. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Li1+, and one In3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6527
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; Na3Li3In2F12; F-In-Li-Na
OSTI Identifier:
1281178
DOI:
10.17188/1281178

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na3Li3In2F12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281178.
Persson, Kristin, & Project, Materials. Materials Data on Na3Li3In2F12 by Materials Project. United States. doi:10.17188/1281178.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na3Li3In2F12 by Materials Project". United States. doi:10.17188/1281178. https://www.osti.gov/servlets/purl/1281178. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281178,
title = {Materials Data on Na3Li3In2F12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na3In2Li3F12 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 (2.46 Å) and four longer (2.59 Å) Na–F bond lengths. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Li–F bond lengths are 1.89 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent LiF4 tetrahedra. All In–F bond lengths are 2.11 Å. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Li1+, and one In3+ atom.},
doi = {10.17188/1281178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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