Materials Data on TiS by Materials Project

doi:10.17188/1266985

Title: Materials Data on TiS by Materials Project

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Abstract

TiS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.50 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of edge, corner, and face-sharing STi6 octahedra. The corner-sharing octahedral tilt angles are 45°.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-545

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; TiS; S-Ti

OSTI Identifier:: 1266985

DOI:: https://doi.org/10.17188/1266985

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                    The Materials Project. Materials Data on TiS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266985.

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                    The Materials Project. Materials Data on TiS by Materials Project.  United States.  doi:https://doi.org/10.17188/1266985

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                    The Materials Project. 2020.  
"Materials Data on TiS by Materials Project".  United States.  doi:https://doi.org/10.17188/1266985.  https://www.osti.gov/servlets/purl/1266985. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1266985,

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

  author       = {The Materials Project},

  abstractNote = {TiS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing TiS6 pentagonal pyramids. All Ti–S bond lengths are 2.50 Å. S2- is bonded to six equivalent Ti2+ atoms to form a mixture of edge, corner, and face-sharing STi6 octahedra. The corner-sharing octahedral tilt angles are 45°.},

  doi          = {10.17188/1266985},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266985

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