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Flux Growth, Crystal Structures, and Electronic Properties of the Ternary Intermetallic Compounds Ca3Pd4Bi8 and Ca3Pt4Bi8

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Reaction of the elements yielded Ca3Pt4Bi8 and CaPtBi, which are, to the best of our knowledge, the first reported ternary Ca-Pt-Bi compounds. The compounds crystallize isostructural to the Pd analogs Ca3Pd4Bi8 (own structure type) and CaPdBi (TiNiSi structure type), respectively. Employing a multistep temperature treatment allows for the growth of mm-sized single crystals of Ca3Pd4Bi8 and Ca3Pt4Bi8 from a Bi self-flux. Their crystal structures can be visualized as consisting of a threedimensional extended polyanion [M4Bi8]6- (M = Pd, Pt), composed of interlinked M-Bi chains propagating along the c direction, and Ca2+ cations residing in one-dimensional channels between the chains. First-principles calculations reveal quasi-onedimensional electronic behavior with reduced effective electron masses along [001]. Bader analysis points to a strong anionic character of the M species (M = Pd, Pt) in Ca3M4Bi8. Thus, it is more appropriate to address the compounds Ca3Pd4Bi8 and Ca3Pt4Bi8 as a palladide and platinide, respectively. Magnetization measurements indicate diamagnetic behavior with no indications for superconductivity down to 2 K. Electrical resistivity data are consistent with metallic behavior and suggest predominant electron-phonon scattering.

TidsskriftInorganic Chemistry
Sider (fra-til)9756-9766
Antal sider11
StatusUdgivet - jun. 2022

Bibliografisk note

Funding Information:
This research is supported by the Swedish Energy Agency, Energimyndigheten under grant agreement no. 46595-1.

Publisher Copyright:
© 2022 American Chemical Society.

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