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Title: Materials Data on Li5Ti2Ni3O10 by Materials Project

Abstract

Li5Ti2Ni3O10 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Li5Ti2Ni3O10 sheet oriented in the (1, -1, 2) direction. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.49–2.21 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.52–2.24 Å. In the third Li1+ site, Li1+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (2.13 Å) Li–O bond length. Ti4+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ti–O bond distances ranging from 1.44–1.94 Å. There are two inequivalent Ni+2.33+ sites. In the first Ni+2.33+ site, Ni+2.33+ is bonded in a 2-coordinate geometry to four O2- atoms. There is two shorter (1.59 Å) and two longer (2.13 Å) Ni–O bond length. In the second Ni+2.33+ site, Ni+2.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.51more » Å) and one longer (1.54 Å) Ni–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Li1+, one Ti4+, and one Ni+2.33+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and two Ni+2.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and one Ni+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Ti4+ atom.« less

Publication Date:
Other Number(s):
mp-771224
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; Li5Ti2Ni3O10; Li-Ni-O-Ti
OSTI Identifier:
1300381
DOI:
10.17188/1300381

Citation Formats

The Materials Project. Materials Data on Li5Ti2Ni3O10 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1300381.
The Materials Project. Materials Data on Li5Ti2Ni3O10 by Materials Project. United States. doi:10.17188/1300381.
The Materials Project. 2017. "Materials Data on Li5Ti2Ni3O10 by Materials Project". United States. doi:10.17188/1300381. https://www.osti.gov/servlets/purl/1300381. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1300381,
title = {Materials Data on Li5Ti2Ni3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5Ti2Ni3O10 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Li5Ti2Ni3O10 sheet oriented in the (1, -1, 2) direction. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.49–2.21 Å. In the second Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.52–2.24 Å. In the third Li1+ site, Li1+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (2.13 Å) Li–O bond length. Ti4+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Ti–O bond distances ranging from 1.44–1.94 Å. There are two inequivalent Ni+2.33+ sites. In the first Ni+2.33+ site, Ni+2.33+ is bonded in a 2-coordinate geometry to four O2- atoms. There is two shorter (1.59 Å) and two longer (2.13 Å) Ni–O bond length. In the second Ni+2.33+ site, Ni+2.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.54 Å) Ni–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Li1+, one Ti4+, and one Ni+2.33+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and two Ni+2.33+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Li1+ and one Ni+2.33+ atom. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Li1+ and one Ti4+ atom.},
doi = {10.17188/1300381},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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