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Title: Materials Data on LiSO3F by Materials Project

Abstract

LiSO3F crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiSO3F sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent SO3F tetrahedra and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.94 Å) and two longer (2.03 Å) Li–O bond length. S6+ is bonded to three O2- and one F1- atom to form SO3F tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is two shorter (1.44 Å) and one longer (1.47 Å) S–O bond length. The S–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.

Publication Date:
Other Number(s):
mp-7744
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; LiSO3F; F-Li-O-S
OSTI Identifier:
1302560
DOI:
10.17188/1302560

Citation Formats

The Materials Project. Materials Data on LiSO3F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302560.
The Materials Project. Materials Data on LiSO3F by Materials Project. United States. doi:10.17188/1302560.
The Materials Project. 2020. "Materials Data on LiSO3F by Materials Project". United States. doi:10.17188/1302560. https://www.osti.gov/servlets/purl/1302560. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1302560,
title = {Materials Data on LiSO3F by Materials Project},
author = {The Materials Project},
abstractNote = {LiSO3F crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiSO3F sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent SO3F tetrahedra and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.94 Å) and two longer (2.03 Å) Li–O bond length. S6+ is bonded to three O2- and one F1- atom to form SO3F tetrahedra that share corners with four equivalent LiO4 tetrahedra. There is two shorter (1.44 Å) and one longer (1.47 Å) S–O bond length. The S–F bond length is 1.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one S6+ atom. F1- is bonded in a single-bond geometry to one S6+ atom.},
doi = {10.17188/1302560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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