Materials Data on Li3Mn2(NiO4)2 by Materials Project

doi:10.17188/1293856

Title: Materials Data on Li3Mn2(NiO4)2 by Materials Project

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Abstract

LiMnO2(LiNiO2)2MnO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one manganese hydroxide (mn(oh)2) molecule; one LiMnO2 ribbon oriented in the (1, 1, 1) direction; and two LiNiO2 ribbons oriented in the (1, 1, 1) direction. In the LiMnO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.60 Å. Mn+4.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.37 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one Mn+4.50+ atom. In each LiNiO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.45 Å. Ni2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.56 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Ni2+ atom.

Publication Date:: Thu Jan 10 23:00:00 EST 2019

Other Number(s):: mp-763752

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Li-Mn-Ni-O; Li3Mn2(NiO4)2; crystal structure

OSTI Identifier:: 1293856

DOI:: https://doi.org/10.17188/1293856

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                    Materials Data on Li3Mn2(NiO4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1293856.

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                    Materials Data on Li3Mn2(NiO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1293856

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                    2019.  
"Materials Data on Li3Mn2(NiO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1293856.  https://www.osti.gov/servlets/purl/1293856. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1293856,

  title        = {Materials Data on Li3Mn2(NiO4)2 by Materials Project},

  
  abstractNote = {LiMnO2(LiNiO2)2MnO2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one manganese hydroxide (mn(oh)2) molecule; one LiMnO2 ribbon oriented in the (1, 1, 1) direction; and two LiNiO2 ribbons oriented in the (1, 1, 1) direction. In the LiMnO2 ribbon, Li1+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.60 Å. Mn+4.50+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Mn–O bond lengths are 1.37 Å. O2- is bonded in a distorted linear geometry to one Li1+ and one Mn+4.50+ atom. In each LiNiO2 ribbon, Li1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Li–O bond lengths are 1.45 Å. Ni2+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.56 Å. O2- is bonded in a 2-coordinate geometry to one Li1+ and one Ni2+ atom.},

  doi          = {10.17188/1293856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jan 10 23:00:00 EST 2019},

  month        = {Thu Jan 10 23:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1293856

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