Materials Data on Li5H9Pt2 by Materials Project

doi:10.17188/1280337

Title: Materials Data on Li5H9Pt2 by Materials Project

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Abstract

Li5Pt2H9 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five H+0.11- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.22 Å. In the second Li1+ site, Li1+ is bonded in a body-centered cubic geometry to eight equivalent H+0.11- atoms. All Li–H bond lengths are 2.31 Å. Pt2- is bonded to five H+0.11- atoms to form distorted corner-sharing PtH5 square pyramids. There is four shorter (1.65 Å) and one longer (1.86 Å) Pt–H bond length. There are two inequivalent H+0.11- sites. In the first H+0.11- site, H+0.11- is bonded in an octahedral geometry to four equivalent Li1+ and two equivalent Pt2- atoms. In the second H+0.11- site, H+0.11- is bonded in a 4-coordinate geometry to three Li1+ and one Pt2- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-643656

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; Li5H9Pt2; H-Li-Pt

OSTI Identifier:: 1280337

DOI:: https://doi.org/10.17188/1280337

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                    The Materials Project. Materials Data on Li5H9Pt2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280337.

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                    The Materials Project. Materials Data on Li5H9Pt2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280337

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                    The Materials Project. 2020.  
"Materials Data on Li5H9Pt2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280337.  https://www.osti.gov/servlets/purl/1280337. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1280337,

  title        = {Materials Data on Li5H9Pt2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li5Pt2H9 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five H+0.11- atoms. There are a spread of Li–H bond distances ranging from 2.13–2.22 Å. In the second Li1+ site, Li1+ is bonded in a body-centered cubic geometry to eight equivalent H+0.11- atoms. All Li–H bond lengths are 2.31 Å. Pt2- is bonded to five H+0.11- atoms to form distorted corner-sharing PtH5 square pyramids. There is four shorter (1.65 Å) and one longer (1.86 Å) Pt–H bond length. There are two inequivalent H+0.11- sites. In the first H+0.11- site, H+0.11- is bonded in an octahedral geometry to four equivalent Li1+ and two equivalent Pt2- atoms. In the second H+0.11- site, H+0.11- is bonded in a 4-coordinate geometry to three Li1+ and one Pt2- atom.},

  doi          = {10.17188/1280337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1280337

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