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Title: Materials Data on Li2TiO3 by Materials Project

Abstract

Li2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent LiO6 octahedra, edges with five equivalent TiO6 octahedra, and edges with seven equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Li–O bond distances ranging from 2.00–2.22 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent LiO6 octahedra, edges with two equivalent TiO6 octahedra, and edges with ten equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Ti–O bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt anglesmore » range from 0–12°.« less

Authors:
Publication Date:
Other Number(s):
mp-1222656
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; Li2TiO3; Li-O-Ti
OSTI Identifier:
1691380
DOI:
https://doi.org/10.17188/1691380

Citation Formats

The Materials Project. Materials Data on Li2TiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1691380.
The Materials Project. Materials Data on Li2TiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1691380
The Materials Project. 2020. "Materials Data on Li2TiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1691380. https://www.osti.gov/servlets/purl/1691380. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1691380,
title = {Materials Data on Li2TiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2TiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent LiO6 octahedra, edges with five equivalent TiO6 octahedra, and edges with seven equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are a spread of Li–O bond distances ranging from 2.00–2.22 Å. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with four equivalent LiO6 octahedra, edges with two equivalent TiO6 octahedra, and edges with ten equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Ti–O bond lengths are 1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ti4+ atoms to form a mixture of edge and corner-sharing OLi4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°.},
doi = {10.17188/1691380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Improving the cycling performance of LiNi0.8Co0.1Mn0.1O2 by surface coating with Li2TiO3
journal, September 2016