Materials Data on TlF3 by Materials Project

doi:10.17188/1201154

Title: Materials Data on TlF3 by Materials Project

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Abstract

TlF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.16–2.56 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Tl3+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-2632

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; TlF3; F-Tl

OSTI Identifier:: 1201154

DOI:: https://doi.org/10.17188/1201154

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                    The Materials Project. Materials Data on TlF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201154.

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                    The Materials Project. Materials Data on TlF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201154

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                    The Materials Project. 2020.  
"Materials Data on TlF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201154.  https://www.osti.gov/servlets/purl/1201154. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1201154,

  title        = {Materials Data on TlF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Tl–F bond distances ranging from 2.16–2.56 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Tl3+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Tl3+ atoms.},

  doi          = {10.17188/1201154},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201154

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