Materials Data on InS2 by Materials Project

doi:10.17188/1708564

Title: Materials Data on InS2 by Materials Project

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Abstract

InS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. In3+ is bonded in a 4-coordinate geometry to nine S+1.50- atoms. There are a spread of In–S bond distances ranging from 2.67–3.22 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to five equivalent In3+ atoms. In the second S+1.50- site, S+1.50- is bonded to four equivalent In3+ and four equivalent S+1.50- atoms to form a mixture of distorted corner, edge, and face-sharing SIn4S4 hexagonal bipyramids. All S–S bond lengths are 2.58 Å.

Publication Date:: 2020-05-02

Other Number(s):: mp-1147625

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-S; InS2; crystal structure

OSTI Identifier:: 1708564

DOI:: https://doi.org/10.17188/1708564

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                    Materials Data on InS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708564.

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                    Materials Data on InS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1708564

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                    2020.  
"Materials Data on InS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1708564.  https://www.osti.gov/servlets/purl/1708564. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1708564,

  title        = {Materials Data on InS2 by Materials Project},

  
  abstractNote = {InS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. In3+ is bonded in a 4-coordinate geometry to nine S+1.50- atoms. There are a spread of In–S bond distances ranging from 2.67–3.22 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to five equivalent In3+ atoms. In the second S+1.50- site, S+1.50- is bonded to four equivalent In3+ and four equivalent S+1.50- atoms to form a mixture of distorted corner, edge, and face-sharing SIn4S4 hexagonal bipyramids. All S–S bond lengths are 2.58 Å.},

  doi          = {10.17188/1708564},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708564

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