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Title: Materials Data on Li2TiO3 by Materials Project

Abstract

Li2TiO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Li2TiO3 sheet oriented in the (1, -2, 1) direction. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.79–2.02 Å. In the second Li1+ site, Li1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.83–1.97 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.08 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.69–1.89 Å. In the second Ti4+ site, Ti4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.81 Å) and two longer (1.88 Å) Ti–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in amore » 4-coordinate geometry to three Li1+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to two Li1+ and two Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two equivalent Ti4+ atoms. In the fifth O2- site, O2- is bonded in a distorted square co-planar geometry to four Li1+ atoms.« less

Publication Date:
Other Number(s):
mp-760017
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; Li2TiO3; Li-O-Ti
OSTI Identifier:
1291555
DOI:
10.17188/1291555

Citation Formats

The Materials Project. Materials Data on Li2TiO3 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1291555.
The Materials Project. Materials Data on Li2TiO3 by Materials Project. United States. doi:10.17188/1291555.
The Materials Project. 2014. "Materials Data on Li2TiO3 by Materials Project". United States. doi:10.17188/1291555. https://www.osti.gov/servlets/purl/1291555. Pub date:Thu Jul 10 00:00:00 EDT 2014
@article{osti_1291555,
title = {Materials Data on Li2TiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2TiO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Li2TiO3 sheet oriented in the (1, -2, 1) direction. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.79–2.02 Å. In the second Li1+ site, Li1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.83–1.97 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.88–2.08 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.69–1.89 Å. In the second Ti4+ site, Ti4+ is bonded in a distorted square co-planar geometry to four O2- atoms. There is two shorter (1.81 Å) and two longer (1.88 Å) Ti–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to two Li1+ and two Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Li1+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Li1+ and two equivalent Ti4+ atoms. In the fifth O2- site, O2- is bonded in a distorted square co-planar geometry to four Li1+ atoms.},
doi = {10.17188/1291555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

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