Materials Data on LiMnH6O7 by Materials Project

doi:10.17188/1200764

Title: Materials Data on LiMnH6O7 by Materials Project

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Abstract

Li(H2O)3MnO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li1+ is bonded to six equivalent O2- atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.17 Å) Li–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent H1+ atoms.

Publication Date:: 2017-05-11

Other Number(s):: mp-25568

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; H-Li-Mn-O; LiMnH6O7; crystal structure

OSTI Identifier:: 1200764

DOI:: https://doi.org/10.17188/1200764

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                    Materials Data on LiMnH6O7 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1200764.

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                    Materials Data on LiMnH6O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200764

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                    2017.  
"Materials Data on LiMnH6O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200764.  https://www.osti.gov/servlets/purl/1200764. Pub date:Thu May 11 04:00:00 UTC 2017

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@article{osti_1200764,

  title        = {Materials Data on LiMnH6O7 by Materials Project},

  
  abstractNote = {Li(H2O)3MnO4 crystallizes in the hexagonal P6_3mc space group. The structure is one-dimensional and consists of two mangan(iv)-hydroxyd molecules and one Li(H2O)3 ribbon oriented in the (0, 0, 1) direction. In the Li(H2O)3 ribbon, Li1+ is bonded to six equivalent O2- atoms to form face-sharing LiO6 octahedra. There are three shorter (2.16 Å) and three longer (2.17 Å) Li–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted water-like geometry to two equivalent Li1+ and two equivalent H1+ atoms.},

  doi          = {10.17188/1200764},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1200764

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