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Title: Materials Data on SrLiTiF6 by Materials Project

Abstract

LiSrTiF6 is beta Vanadium nitride-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 TiF6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Li–F bond lengths are 2.08 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 TiF6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Sr–F bond lengths are 2.46 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ti–F bond lengths are 1.99 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Ti3+ atom.

Publication Date:
Other Number(s):
mp-1208599
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; SrLiTiF6; F-Li-Sr-Ti
OSTI Identifier:
1725097
DOI:
https://doi.org/10.17188/1725097

Citation Formats

The Materials Project. Materials Data on SrLiTiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1725097.
The Materials Project. Materials Data on SrLiTiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1725097
The Materials Project. 2020. "Materials Data on SrLiTiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1725097. https://www.osti.gov/servlets/purl/1725097. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1725097,
title = {Materials Data on SrLiTiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSrTiF6 is beta Vanadium nitride-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 TiF6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Li–F bond lengths are 2.08 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 TiF6 octahedra. The corner-sharing octahedra tilt angles range from 49–54°. All Sr–F bond lengths are 2.46 Å. Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ti–F bond lengths are 1.99 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Ti3+ atom.},
doi = {10.17188/1725097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}