Materials Data on TiSeS by Materials Project

doi:10.17188/1711550

Title: Materials Data on TiSeS by Materials Project

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Abstract

TiSeS is trigonal omega-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one TiSeS sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing TiSe3S3 octahedra. There are one shorter (2.54 Å) and two longer (2.61 Å) Ti–Se bond lengths. There are two shorter (2.40 Å) and one longer (2.45 Å) Ti–S bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent Ti4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1216698

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; S-Se-Ti; TiSeS; crystal structure

OSTI Identifier:: 1711550

DOI:: https://doi.org/10.17188/1711550

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                    Materials Data on TiSeS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711550.

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                    Materials Data on TiSeS by Materials Project.  United States.  doi:https://doi.org/10.17188/1711550

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                    2020.  
"Materials Data on TiSeS by Materials Project".  United States.  doi:https://doi.org/10.17188/1711550.  https://www.osti.gov/servlets/purl/1711550. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1711550,

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

  
  abstractNote = {TiSeS is trigonal omega-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one TiSeS sheet oriented in the (0, 0, 1) direction. Ti4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing TiSe3S3 octahedra. There are one shorter (2.54 Å) and two longer (2.61 Å) Ti–Se bond lengths. There are two shorter (2.40 Å) and one longer (2.45 Å) Ti–S bond lengths. Se2- is bonded in a 3-coordinate geometry to three equivalent Ti4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Ti4+ atoms.},

  doi          = {10.17188/1711550},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711550

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