Materials Data on LiInSe2 by Materials Project

doi:10.17188/1187231

Title: Materials Data on LiInSe2 by Materials Project

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Abstract

LiInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.83 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All In–Se bond lengths are 2.79 Å. Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeLi3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-15

Other Number(s):: mp-10618

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In-Li-Se; LiInSe2; crystal structure

OSTI Identifier:: 1187231

DOI:: https://doi.org/10.17188/1187231

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                    Materials Data on LiInSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187231.

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                    Materials Data on LiInSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187231

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                    2020.  
"Materials Data on LiInSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187231.  https://www.osti.gov/servlets/purl/1187231. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1187231,

  title        = {Materials Data on LiInSe2 by Materials Project},

  
  abstractNote = {LiInSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent InSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.83 Å. In3+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent InSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All In–Se bond lengths are 2.79 Å. Se2- is bonded to three equivalent Li1+ and three equivalent In3+ atoms to form a mixture of corner and edge-sharing SeLi3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1187231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187231

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