Materials Data on Li4H6Ru by Materials Project

doi:10.17188/1280217

Title: Materials Data on Li4H6Ru by Materials Project

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Abstract

Li4RuH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Li–H bond lengths are 2.04 Å. In the second Li1+ site, Li1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are a spread of Li–H bond distances ranging from 2.12–2.33 Å. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.72 Å. H1- is bonded in a 6-coordinate geometry to five Li1+ and one Ru2+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-642847

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; Li4H6Ru; H-Li-Ru

OSTI Identifier:: 1280217

DOI:: https://doi.org/10.17188/1280217

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                    The Materials Project. Materials Data on Li4H6Ru by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280217.

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                    The Materials Project. Materials Data on Li4H6Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1280217

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                    The Materials Project. 2020.  
"Materials Data on Li4H6Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1280217.  https://www.osti.gov/servlets/purl/1280217. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1280217,

  title        = {Materials Data on Li4H6Ru by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li4RuH6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six equivalent H1- atoms. All Li–H bond lengths are 2.04 Å. In the second Li1+ site, Li1+ is bonded in a 8-coordinate geometry to eight equivalent H1- atoms. There are a spread of Li–H bond distances ranging from 2.12–2.33 Å. Ru2+ is bonded in an octahedral geometry to six equivalent H1- atoms. All Ru–H bond lengths are 1.72 Å. H1- is bonded in a 6-coordinate geometry to five Li1+ and one Ru2+ atom.},

  doi          = {10.17188/1280217},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280217

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