Materials Data on LiHF2 by Materials Project

doi:10.17188/1721227

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 six equivalent F1- atoms to form edge-sharing LiF6 octahedra. There are two shorter (2.00 Å) and four longer (2.04 Å) Li–F bond lengths. H1+ is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded to three equivalent Li1+ and one H1+ atom to form a mixture of distorted corner and edge-sharing FLi3H trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1180580

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:: 1721227

DOI:: https://doi.org/10.17188/1721227

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                    The Materials Project. Materials Data on LiHF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1721227.

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                    The Materials Project. Materials Data on LiHF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721227

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                    The Materials Project. 2020.  
"Materials Data on LiHF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721227.  https://www.osti.gov/servlets/purl/1721227. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1721227,

  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 six equivalent F1- atoms to form edge-sharing LiF6 octahedra. There are two shorter (2.00 Å) and four longer (2.04 Å) Li–F bond lengths. H1+ is bonded in a linear geometry to two equivalent F1- atoms. Both H–F bond lengths are 1.14 Å. F1- is bonded to three equivalent Li1+ and one H1+ atom to form a mixture of distorted corner and edge-sharing FLi3H trigonal pyramids.},

  doi          = {10.17188/1721227},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1721227

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