DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaLi2GaF6 by Materials Project

Abstract

NaLi2GaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.15 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Li–F bond lengths are 2.87 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.90 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Ga3+ atom.

Publication Date:
Other Number(s):
mp-1111142
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; NaLi2GaF6; F-Ga-Li-Na
OSTI Identifier:
1753973
DOI:
https://doi.org/10.17188/1753973

Citation Formats

The Materials Project. Materials Data on NaLi2GaF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753973.
The Materials Project. Materials Data on NaLi2GaF6 by Materials Project. United States. doi:https://doi.org/10.17188/1753973
The Materials Project. 2020. "Materials Data on NaLi2GaF6 by Materials Project". United States. doi:https://doi.org/10.17188/1753973. https://www.osti.gov/servlets/purl/1753973. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753973,
title = {Materials Data on NaLi2GaF6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaLi2GaF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.15 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Li–F bond lengths are 2.87 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.90 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Ga3+ atom.},
doi = {10.17188/1753973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}