Materials Data on Li5Ti2Ni3O10 by Materials Project

doi:10.17188/1300381

Title: Materials Data on Li5Ti2Ni3O10 by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 21 00:00:00 EDT 2017

Other Number(s):: mp-771224

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; Li5Ti2Ni3O10; Li-Ni-O-Ti

OSTI Identifier:: 1300381

DOI:: https://doi.org/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.

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                    The Materials Project. Materials Data on Li5Ti2Ni3O10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300381

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                    The Materials Project. 2017.  
"Materials Data on Li5Ti2Ni3O10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300381.  https://www.osti.gov/servlets/purl/1300381. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@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         = {Fri Jul 21 00:00:00 EDT 2017},

  month        = {Fri Jul 21 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1300381

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