Materials Data on KTlBr3 by Materials Project

doi:10.17188/1687400

Title: Materials Data on KTlBr3 by Materials Project

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Abstract

KTlBr3 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one TlBr3 framework. In the TlBr3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.07 Å. In the second Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br is bonded in a linear geometry to two Tl atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1111155

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; KTlBr3; Br-K-Tl

OSTI Identifier:: 1687400

DOI:: https://doi.org/10.17188/1687400

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                    The Materials Project. Materials Data on KTlBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687400.

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                    The Materials Project. Materials Data on KTlBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687400

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                    The Materials Project. 2020.  
"Materials Data on KTlBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687400.  https://www.osti.gov/servlets/purl/1687400. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1687400,

  title        = {Materials Data on KTlBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KTlBr3 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one TlBr3 framework. In the TlBr3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.07 Å. In the second Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br is bonded in a linear geometry to two Tl atoms.},

  doi          = {10.17188/1687400},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1687400

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