Materials Data on LiLuF4 by Materials Project

doi:10.17188/1272065

Title: Materials Data on LiLuF4 by Materials Project

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Abstract

LiLuF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted tetrahedral geometry to four F1- atoms. All Li–F bond lengths are 1.93 Å. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.20–2.28 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Lu3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-561430

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; LiLuF4; F-Li-Lu

OSTI Identifier:: 1272065

DOI:: https://doi.org/10.17188/1272065

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                    The Materials Project. Materials Data on LiLuF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272065.

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                    The Materials Project. Materials Data on LiLuF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272065

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                    The Materials Project. 2020.  
"Materials Data on LiLuF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272065.  https://www.osti.gov/servlets/purl/1272065. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1272065,

  title        = {Materials Data on LiLuF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiLuF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted tetrahedral geometry to four F1- atoms. All Li–F bond lengths are 1.93 Å. Lu3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Lu–F bond distances ranging from 2.20–2.28 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Lu3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Lu3+ atoms.},

  doi          = {10.17188/1272065},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272065

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