Materials Data on LiSmAlF6 by Materials Project

doi:10.17188/1308033

Title: Materials Data on LiSmAlF6 by Materials Project

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Abstract

LiSmAlF6 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share edges with three equivalent AlF6 octahedra. All Li–F bond lengths are 2.02 Å. Sm2+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Sm–F bond lengths are 2.43 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share edges with three equivalent LiF6 octahedra. All Al–F bond lengths are 1.83 Å. F1- is bonded in a 3-coordinate geometry to one Li1+, one Sm2+, and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-8315

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; LiSmAlF6; Al-F-Li-Sm

OSTI Identifier:: 1308033

DOI:: https://doi.org/10.17188/1308033

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                    The Materials Project. Materials Data on LiSmAlF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308033.

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                    The Materials Project. Materials Data on LiSmAlF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308033

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                    The Materials Project. 2020.  
"Materials Data on LiSmAlF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308033.  https://www.osti.gov/servlets/purl/1308033. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1308033,

  title        = {Materials Data on LiSmAlF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiSmAlF6 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share edges with three equivalent AlF6 octahedra. All Li–F bond lengths are 2.02 Å. Sm2+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Sm–F bond lengths are 2.43 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share edges with three equivalent LiF6 octahedra. All Al–F bond lengths are 1.83 Å. F1- is bonded in a 3-coordinate geometry to one Li1+, one Sm2+, and one Al3+ atom.},

  doi          = {10.17188/1308033},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308033

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