Materials Data on LiInS2 by Materials Project

doi:10.17188/1745197

Title: Materials Data on LiInS2 by Materials Project

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Abstract

LiInS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Li–S bond lengths. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1188392

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; LiInS2; In-Li-S

OSTI Identifier:: 1745197

DOI:: https://doi.org/10.17188/1745197

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                    The Materials Project. Materials Data on LiInS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745197.

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                    The Materials Project. Materials Data on LiInS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745197

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                    The Materials Project. 2020.  
"Materials Data on LiInS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745197.  https://www.osti.gov/servlets/purl/1745197. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1745197,

  title        = {Materials Data on LiInS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiInS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four S2- atoms to form LiS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Li–S bond lengths. In3+ is bonded to four S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent LiS4 tetrahedra. There are two shorter (2.49 Å) and two longer (2.50 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent In3+ atoms to form corner-sharing SLi2In2 tetrahedra.},

  doi          = {10.17188/1745197},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745197

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