Materials Data on TiAgF6 by Materials Project

doi:10.17188/1187376

Title: Materials Data on TiAgF6 by Materials Project

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Abstract

TiAgF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TiAgF6 ribbon oriented in the (1, 1, 1) direction. Ti4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Ti–F bond lengths are 1.09 Å. Ag2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.12–2.68 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ti4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ atom.

Authors:: The Materials Project

Publication Date:: 2018-12-19

Other Number(s):: mp-10810

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; TiAgF6; Ag-F-Ti

OSTI Identifier:: 1187376

DOI:: https://doi.org/10.17188/1187376

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                    The Materials Project. Materials Data on TiAgF6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1187376.

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                    The Materials Project. Materials Data on TiAgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187376

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                    The Materials Project. 2018.  
"Materials Data on TiAgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187376.  https://www.osti.gov/servlets/purl/1187376. Pub date:Wed Dec 19 00:00:00 EST 2018

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@article{osti_1187376,

  title        = {Materials Data on TiAgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TiAgF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one TiAgF6 ribbon oriented in the (1, 1, 1) direction. Ti4+ is bonded in a linear geometry to two equivalent F1- atoms. Both Ti–F bond lengths are 1.09 Å. Ag2+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.12–2.68 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ti4+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ag2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ag2+ atom.},

  doi          = {10.17188/1187376},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {12}

}

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DOI: https://doi.org/10.17188/1187376

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