Materials Data on TiSe2 by Materials Project

doi:10.17188/1197256

Title: Materials Data on TiSe2 by Materials Project

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Abstract

TiSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiSe2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent Se2- atoms to form edge-sharing TiSe6 octahedra. All Ti–Se bond lengths are 2.57 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.

Publication Date:: 2017-05-19

Other Number(s):: mp-2194

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; TiSe2; crystal structure

OSTI Identifier:: 1197256

DOI:: https://doi.org/10.17188/1197256

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                    Materials Data on TiSe2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1197256.

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                    Materials Data on TiSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197256

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                    2017.  
"Materials Data on TiSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197256.  https://www.osti.gov/servlets/purl/1197256. Pub date:Fri May 19 04:00:00 UTC 2017

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@article{osti_1197256,

  title        = {Materials Data on TiSe2 by Materials Project},

  
  abstractNote = {TiSe2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one TiSe2 sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to six equivalent Se2- atoms to form edge-sharing TiSe6 octahedra. All Ti–Se bond lengths are 2.57 Å. Se2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.},

  doi          = {10.17188/1197256},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1197256

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