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Title: Materials Data on LiTi2O4 by Materials Project

Abstract

LiTi2O4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.13 Å. There are two inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are four shorter (2.01 Å) and two longer (2.02 Å) Ti–O bond lengths. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.98–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ti+3.50+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ti+3.50+ atoms. In the third O2- site, O2- is bonded to one Li1+ and three Ti+3.50+ atoms to form distorted corner-sharing OLiTi3 tetrahedra.

Publication Date:
Other Number(s):
mp-752942
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; LiTi2O4; Li-O-Ti
OSTI Identifier:
1288853
DOI:
https://doi.org/10.17188/1288853

Citation Formats

The Materials Project. Materials Data on LiTi2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288853.
The Materials Project. Materials Data on LiTi2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1288853
The Materials Project. 2020. "Materials Data on LiTi2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1288853. https://www.osti.gov/servlets/purl/1288853. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1288853,
title = {Materials Data on LiTi2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTi2O4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.13 Å. There are two inequivalent Ti+3.50+ sites. In the first Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are four shorter (2.01 Å) and two longer (2.02 Å) Ti–O bond lengths. In the second Ti+3.50+ site, Ti+3.50+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are a spread of Ti–O bond distances ranging from 1.98–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ti+3.50+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Ti+3.50+ atoms. In the third O2- site, O2- is bonded to one Li1+ and three Ti+3.50+ atoms to form distorted corner-sharing OLiTi3 tetrahedra.},
doi = {10.17188/1288853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}