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Title: Materials Data on SrLiAlF6 by Materials Project

Abstract

LiSrAlF6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–F bond lengths are 2.06 Å. Sr2+ is bonded to six equivalent F1- atoms to form SrF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. All Sr–F bond lengths are 2.46 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Al–F bond lengths are 1.83 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Al3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6591
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; SrLiAlF6; Al-F-Li-Sr
OSTI Identifier:
1281377
DOI:
10.17188/1281377

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SrLiAlF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281377.
Persson, Kristin, & Project, Materials. Materials Data on SrLiAlF6 by Materials Project. United States. doi:10.17188/1281377.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SrLiAlF6 by Materials Project". United States. doi:10.17188/1281377. https://www.osti.gov/servlets/purl/1281377. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1281377,
title = {Materials Data on SrLiAlF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiSrAlF6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Li–F bond lengths are 2.06 Å. Sr2+ is bonded to six equivalent F1- atoms to form SrF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent AlF6 octahedra. The corner-sharing octahedra tilt angles range from 47–58°. All Sr–F bond lengths are 2.46 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Al–F bond lengths are 1.83 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Al3+ atom.},
doi = {10.17188/1281377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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