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Title: Materials Data on LiHF2 by Materials Project

Abstract

LiHF2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to two equivalent H1+ and six equivalent F1- atoms to form a mixture of distorted corner and edge-sharing LiH2F6 hexagonal bipyramids. Both Li–H bond lengths are 1.69 Å. There are two shorter (1.79 Å) and four longer (2.29 Å) Li–F bond lengths. H1+ is bonded in a distorted linear geometry to two equivalent Li1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded in a distorted single-bond geometry to three equivalent Li1+ and one H1+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-632672
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; LiHF2; F-H-Li
OSTI Identifier:
1279331
DOI:
10.17188/1279331

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiHF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279331.
Persson, Kristin, & Project, Materials. Materials Data on LiHF2 by Materials Project. United States. doi:10.17188/1279331.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiHF2 by Materials Project". United States. doi:10.17188/1279331. https://www.osti.gov/servlets/purl/1279331. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1279331,
title = {Materials Data on LiHF2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiHF2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to two equivalent H1+ and six equivalent F1- atoms to form a mixture of distorted corner and edge-sharing LiH2F6 hexagonal bipyramids. Both Li–H bond lengths are 1.69 Å. There are two shorter (1.79 Å) and four longer (2.29 Å) Li–F bond lengths. H1+ is bonded in a distorted linear geometry to two equivalent Li1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded in a distorted single-bond geometry to three equivalent Li1+ and one H1+ atom.},
doi = {10.17188/1279331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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