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Title: Materials Data on LiTi(SO)2 by Materials Project

Abstract

LiO2TiS2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiO2 sheet oriented in the (0, 0, 1) direction and one TiS2 sheet oriented in the (0, 0, 1) direction. In the LiO2 sheet, Li1+ is bonded to six equivalent O2- atoms to form edge-sharing LiO6 octahedra. There are four shorter (1.91 Å) and two longer (2.51 Å) Li–O bond lengths. O2- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one O2- atom. The O–O bond length is 1.37 Å. In the TiS2 sheet, Ti3+ is bonded to six equivalent S atoms to form edge-sharing TiS6 octahedra. There are two shorter (2.42 Å) and four longer (2.46 Å) Ti–S bond lengths. S is bonded in a distorted T-shaped geometry to three equivalent Ti3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1077164
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiTi(SO)2; Li-O-S-Ti
OSTI Identifier:
1680162
DOI:
https://doi.org/10.17188/1680162

Citation Formats

The Materials Project. Materials Data on LiTi(SO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680162.
The Materials Project. Materials Data on LiTi(SO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680162
The Materials Project. 2020. "Materials Data on LiTi(SO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680162. https://www.osti.gov/servlets/purl/1680162. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680162,
title = {Materials Data on LiTi(SO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiO2TiS2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one LiO2 sheet oriented in the (0, 0, 1) direction and one TiS2 sheet oriented in the (0, 0, 1) direction. In the LiO2 sheet, Li1+ is bonded to six equivalent O2- atoms to form edge-sharing LiO6 octahedra. There are four shorter (1.91 Å) and two longer (2.51 Å) Li–O bond lengths. O2- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one O2- atom. The O–O bond length is 1.37 Å. In the TiS2 sheet, Ti3+ is bonded to six equivalent S atoms to form edge-sharing TiS6 octahedra. There are two shorter (2.42 Å) and four longer (2.46 Å) Ti–S bond lengths. S is bonded in a distorted T-shaped geometry to three equivalent Ti3+ atoms.},
doi = {10.17188/1680162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}