Materials Data on LiHF2 by Materials Project

doi:10.17188/1279331

Title: Materials Data on LiHF2 by Materials Project

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Abstract

LiHF2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to two equivalent H1+ and six equivalent F1- atoms to form a mixture of distorted corner and edge-sharing LiH2F6 hexagonal bipyramids. Both Li–H bond lengths are 1.69 Å. There are two shorter (1.79 Å) and four longer (2.29 Å) Li–F bond lengths. H1+ is bonded in a distorted linear geometry to two equivalent Li1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded in a distorted single-bond geometry to three equivalent Li1+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-632672

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; LiHF2; F-H-Li

OSTI Identifier:: 1279331

DOI:: https://doi.org/10.17188/1279331

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                    The Materials Project. Materials Data on LiHF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279331.

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                    The Materials Project. Materials Data on LiHF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279331

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                    The Materials Project. 2020.  
"Materials Data on LiHF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279331.  https://www.osti.gov/servlets/purl/1279331. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1279331,

  title        = {Materials Data on LiHF2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiHF2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to two equivalent H1+ and six equivalent F1- atoms to form a mixture of distorted corner and edge-sharing LiH2F6 hexagonal bipyramids. Both Li–H bond lengths are 1.69 Å. There are two shorter (1.79 Å) and four longer (2.29 Å) Li–F bond lengths. H1+ is bonded in a distorted linear geometry to two equivalent Li1+ and two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded in a distorted single-bond geometry to three equivalent Li1+ and one H1+ atom.},

  doi          = {10.17188/1279331},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279331

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