Materials Data on TiH8(NF3)2 by Materials Project

doi:10.17188/1310753

Title: Materials Data on TiH8(NF3)2 by Materials Project

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Abstract

(NH4)2TiF6 is hexagonal omega structure structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ammonium molecules and two TiF6 clusters. In each TiF6 cluster, Ti4+ is bonded in an octahedral geometry to six F1- atoms. All Ti–F bond lengths are 1.90 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom.

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-865466

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-H-N-Ti; TiH8(NF3)2; crystal structure

OSTI Identifier:: 1310753

DOI:: https://doi.org/10.17188/1310753

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                    Materials Data on TiH8(NF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1310753.

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                    Materials Data on TiH8(NF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1310753

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                    2020.  
"Materials Data on TiH8(NF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1310753.  https://www.osti.gov/servlets/purl/1310753. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1310753,

  title        = {Materials Data on TiH8(NF3)2 by Materials Project},

  
  abstractNote = {(NH4)2TiF6 is hexagonal omega structure structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four ammonium molecules and two TiF6 clusters. In each TiF6 cluster, Ti4+ is bonded in an octahedral geometry to six F1- atoms. All Ti–F bond lengths are 1.90 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ti4+ atom.},

  doi          = {10.17188/1310753},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1310753

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