Materials Data on Ti(NF2)3 by Materials Project

doi:10.17188/1746680

Title: Materials Data on Ti(NF2)3 by Materials Project

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Abstract

TiNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one TiNF6 framework. In the TiNF6 framework, Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.91 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to one Ti3+ and one N1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1080110

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; Ti(NF2)3; F-N-Ti

OSTI Identifier:: 1746680

DOI:: https://doi.org/10.17188/1746680

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                    The Materials Project. Materials Data on Ti(NF2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746680.

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                    The Materials Project. Materials Data on Ti(NF2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746680

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                    The Materials Project. 2020.  
"Materials Data on Ti(NF2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746680.  https://www.osti.gov/servlets/purl/1746680. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746680,

  title        = {Materials Data on Ti(NF2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one TiNF6 framework. In the TiNF6 framework, Ti3+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.91 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 2.08 Å. F1- is bonded in a distorted linear geometry to one Ti3+ and one N1+ atom.},

  doi          = {10.17188/1746680},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746680

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