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.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1216698

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; TiSeS; S-Se-Ti

OSTI Identifier:: 1711550

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

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

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

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                    The Materials Project. 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},

  author       = {The 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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