Materials Data on TiSe by Materials Project

doi:10.17188/1185063

Title: Materials Data on TiSe by Materials Project

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Abstract

TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.

Publication Date:: 2020-07-24

Other Number(s):: mp-10027

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; Se-Ti; TiSe; crystal structure

OSTI Identifier:: 1185063

DOI:: https://doi.org/10.17188/1185063

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                    Materials Data on TiSe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1185063.

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                    Materials Data on TiSe by Materials Project.  United States.  doi:https://doi.org/10.17188/1185063

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                    2020.  
"Materials Data on TiSe by Materials Project".  United States.  doi:https://doi.org/10.17188/1185063.  https://www.osti.gov/servlets/purl/1185063. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1185063,

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

  
  abstractNote = {TiSe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted corner and edge-sharing TiSe6 pentagonal pyramids. All Ti–Se bond lengths are 2.64 Å. Se2- is bonded to six equivalent Ti2+ atoms to form a mixture of corner, edge, and face-sharing SeTi6 octahedra. The corner-sharing octahedral tilt angles are 44°.},

  doi          = {10.17188/1185063},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1185063

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