Materials Data on LiInSe2 by Materials Project

doi:10.17188/1195436

Title: Materials Data on LiInSe2 by Materials Project

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Abstract

LiInSe2 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four Se2- atoms to form LiSe4 tetrahedra that share corners with four equivalent LiSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. There are a spread of Li–Se bond distances ranging from 2.58–2.60 Å. In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent LiSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.62–2.64 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-20310

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; LiInSe2; In-Li-Se

OSTI Identifier:: 1195436

DOI:: https://doi.org/10.17188/1195436

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                    The Materials Project. Materials Data on LiInSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195436.

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                    The Materials Project. Materials Data on LiInSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195436

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                    The Materials Project. 2020.  
"Materials Data on LiInSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195436.  https://www.osti.gov/servlets/purl/1195436. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1195436,

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

  author       = {The Materials Project},

  abstractNote = {LiInSe2 is Lavarevi\'{c}ite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four Se2- atoms to form LiSe4 tetrahedra that share corners with four equivalent LiSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. There are a spread of Li–Se bond distances ranging from 2.58–2.60 Å. In3+ is bonded to four Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent LiSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.62–2.64 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SeLi2In2 tetrahedra.},

  doi          = {10.17188/1195436},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195436

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