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Title: Materials Data on SrLiAlF6 by Materials Project

Abstract

LiSrAlF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.91–2.45 Å. Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.40–3.00 Å. Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.79–1.88 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+, one Sr2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Sr2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Li1+, one Sr2+, and one Al3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Sr2+, and one Al3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Al3+ atom. In the sixth F1-more » site, F1- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, and one Al3+ atom.« less

Publication Date:
Other Number(s):
mp-555591
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:
1268893
DOI:
10.17188/1268893

Citation Formats

The Materials Project. Materials Data on SrLiAlF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268893.
The Materials Project. Materials Data on SrLiAlF6 by Materials Project. United States. doi:10.17188/1268893.
The Materials Project. 2020. "Materials Data on SrLiAlF6 by Materials Project". United States. doi:10.17188/1268893. https://www.osti.gov/servlets/purl/1268893. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1268893,
title = {Materials Data on SrLiAlF6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSrAlF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.91–2.45 Å. Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.40–3.00 Å. Al3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Al–F bond distances ranging from 1.79–1.88 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+, one Sr2+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+, two equivalent Sr2+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Li1+, one Sr2+, and one Al3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+, one Sr2+, and one Al3+ atom. In the fifth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Sr2+ and one Al3+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Sr2+, and one Al3+ atom.},
doi = {10.17188/1268893},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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