Materials Data on TiF3 by Materials Project

doi:10.17188/1200157

Title: Materials Data on TiF3 by Materials Project

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Abstract

TiF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent F1- atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ti–F bond lengths are 1.98 Å. F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-246

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; F-Ti; TiF3; crystal structure

OSTI Identifier:: 1200157

DOI:: https://doi.org/10.17188/1200157

Citation Formats


                    Materials Data on TiF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200157.

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                    Materials Data on TiF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200157

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                    2020.  
"Materials Data on TiF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200157.  https://www.osti.gov/servlets/purl/1200157. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1200157,

  title        = {Materials Data on TiF3 by Materials Project},

  
  abstractNote = {TiF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent F1- atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ti–F bond lengths are 1.98 Å. F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.},

  doi          = {10.17188/1200157},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200157

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Materials Data on TiF3 by Materials Project

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TiF3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are two shorter (1.96 Å) and four longer (2.17 Å) Ti–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ti3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.
Materials Data on TiF3 by Materials Project

Dataset

TiF3 is alpha Rhenium trioxide structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent F1- atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Ti–F bond lengths are 1.97 Å. F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.
Materials Data on TiF3 by Materials Project

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TiF3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ti3+ is bonded in a distorted hexagonal planar geometry to six F1- atoms. There are two shorter (1.99 Å) and four longer (2.02 Å) Ti–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Ti3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Ti3+ atoms.
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