Materials Data on LiInF4 by Materials Project

doi:10.17188/1312814

Title: Materials Data on LiInF4 by Materials Project

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Abstract

LiInF4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent InF6 octahedra, an edgeedge with one InF6 octahedra, and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are four shorter (2.00 Å) and two longer (2.15 Å) Li–F bond lengths. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with four equivalent InF6 octahedra, corners with six equivalent LiF6 octahedra, and an edgeedge with one LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of In–F bond distances ranging from 2.05–2.17 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one In3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent In3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-8892

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; LiInF4; F-In-Li

OSTI Identifier:: 1312814

DOI:: https://doi.org/10.17188/1312814

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                    The Materials Project. Materials Data on LiInF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312814.

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                    The Materials Project. Materials Data on LiInF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312814

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                    The Materials Project. 2020.  
"Materials Data on LiInF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312814.  https://www.osti.gov/servlets/purl/1312814. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1312814,

  title        = {Materials Data on LiInF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiInF4 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent InF6 octahedra, an edgeedge with one InF6 octahedra, and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are four shorter (2.00 Å) and two longer (2.15 Å) Li–F bond lengths. In3+ is bonded to six F1- atoms to form InF6 octahedra that share corners with four equivalent InF6 octahedra, corners with six equivalent LiF6 octahedra, and an edgeedge with one LiF6 octahedra. The corner-sharing octahedra tilt angles range from 43–58°. There are a spread of In–F bond distances ranging from 2.05–2.17 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one In3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent In3+ atoms.},

  doi          = {10.17188/1312814},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1312814

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