Materials Data on TiCl4 by Materials Project

doi:10.17188/1204520

Title: Materials Data on TiCl4 by Materials Project

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Abstract

TiCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four titanium tetrachloride molecules. Ti4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.18 Å) and one longer (2.19 Å) Ti–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.

Publication Date:: 2020-07-23

Other Number(s):: mp-30092

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; Cl-Ti; TiCl4; crystal structure

OSTI Identifier:: 1204520

DOI:: https://doi.org/10.17188/1204520

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                    Materials Data on TiCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204520.

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                    Materials Data on TiCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204520

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                    2020.  
"Materials Data on TiCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204520.  https://www.osti.gov/servlets/purl/1204520. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1204520,

  title        = {Materials Data on TiCl4 by Materials Project},

  
  abstractNote = {TiCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four titanium tetrachloride molecules. Ti4+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are three shorter (2.18 Å) and one longer (2.19 Å) Ti–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ti4+ atom.},

  doi          = {10.17188/1204520},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204520

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