Materials Data on LiScI3 by Materials Project

doi:10.17188/1202880

Title: Materials Data on LiScI3 by Materials Project

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Abstract

LiScI3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent ScI6 octahedra, edges with three equivalent ScI6 octahedra, and faces with two equivalent LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–I bond lengths are 3.00 Å. Sc2+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent LiI6 octahedra, edges with three equivalent LiI6 octahedra, and faces with two equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sc2+ atoms.

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-28835

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; LiScI3; I-Li-Sc

OSTI Identifier:: 1202880

DOI:: https://doi.org/10.17188/1202880

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                    The Materials Project. Materials Data on LiScI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202880.

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                    The Materials Project. Materials Data on LiScI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202880

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                    The Materials Project. 2020.  
"Materials Data on LiScI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202880.  https://www.osti.gov/servlets/purl/1202880. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1202880,

  title        = {Materials Data on LiScI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiScI3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent ScI6 octahedra, edges with three equivalent ScI6 octahedra, and faces with two equivalent LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–I bond lengths are 3.00 Å. Sc2+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent LiI6 octahedra, edges with three equivalent LiI6 octahedra, and faces with two equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sc2+ atoms.},

  doi          = {10.17188/1202880},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202880

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