Materials Data on KTlBr4 by Materials Project

doi:10.17188/1202175

Title: Materials Data on KTlBr4 by Materials Project

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Abstract

KTlBr4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.49–3.58 Å. Tl3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Tl–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Tl3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Tl3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-28048

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; KTlBr4; Br-K-Tl

OSTI Identifier:: 1202175

DOI:: https://doi.org/10.17188/1202175

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                    The Materials Project. Materials Data on KTlBr4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202175.

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                    The Materials Project. Materials Data on KTlBr4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202175

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                    The Materials Project. 2020.  
"Materials Data on KTlBr4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202175.  https://www.osti.gov/servlets/purl/1202175. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1202175,

  title        = {Materials Data on KTlBr4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KTlBr4 is Zircon-like structured and crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.49–3.58 Å. Tl3+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.63 Å) and two longer (2.64 Å) Tl–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Tl3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Tl3+ atom.},

  doi          = {10.17188/1202175},

  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/10.17188/1202175

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