Substitution of indium for chromium in TlIn5−xCrxSe8: crystal structure of TlIn4.811(5)Cr0.189(5)Se8

Lefèvre, Robin; Berthebaud, David; Gascoin, Franck

doi:10.1107/s2056989017003292

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“…The two aforementioned compounds belong to the family of hollandite derivative materials, characterized by the general formula AM 5 X 8 (A = Li–Cs, Sr, Ba, Cd, In, Tl, Sn, and Pb; M = Sc, Ti, V, and Cr; and X = S, Se, and Te). − The structure of these compounds is somewhat related to that of hollandite mineral oxide BaMn 8 O 16 . First described by Byström and Byström, the hollandite structure consists of interconnected chains of MnO 6 octahedra, where the chains share corners, forming a quasi-one-dimensional framework.…”

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confidence: 99%

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like Cs_xCr₅Te₈ Phases (0.73 < x < 1)

Bouteiller,

Fontaine,

Mori

et al. 2023

Inorg. Chem.

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This article presents a comprehensive study on the synthesis and structural and thermal conductivity properties of cesium-inserted chromium tellurides of formula Cs x Cr5Te8. Single crystals of three different compositions (x = 0.73, 0.91, and 0.97) were successfully synthesized and suggested the existence of a solid solution in the range 0.73 < x < 1. Through a detailed single-crystal characterization, the complete structure of these compounds is determined, revealing a distinct B-type hollandite-like structural form derived from the hollandite structure, in contrast to the more commonly observed A-type pseudo-hollandite in AM5X8-type chalcogenides (A = cation, M = transition metal, and X = chalcogen). Periodic density functional theory calculations predict the Cs0.73Cr5Te8 composition as the most stable, with a metallic conductive behavior. The thermal conductivity of bulk Cs x Cr5Te8 samples is measured to be 1.4 W m–1 K–1 at 300 K and increases with temperature up to 2 W m–1 K–1 at 673 K.

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Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like Cs_xCr₅Te₈ Phases (0.73 < x < 1)

Bouteiller,

Fontaine,

Mori

et al. 2023

Inorg. Chem.

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Substitution of indium for chromium in TlIn_5−xCr_xSe₈: crystal structure of TlIn_4.811(5)Cr_0.189(5)Se₈

Abstract: A substitution of indium for chromium in TlIn5Se8 led to the isostructural solid solution TlIn4.8Cr0.2Se8 with only one (Wyckoff position 2a) of three In positions occupied by Cr atoms.

Cited by 1 publication

References 8 publications

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like Cs_xCr₅Te₈ Phases (0.73 < x < 1)

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like Cs_xCr₅Te₈ Phases (0.73 < x < 1)

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Substitution of indium for chromium in TlIn5−xCrxSe8: crystal structure of TlIn4.811(5)Cr0.189(5)Se8

Abstract: A substitution of indium for chromium in TlIn5Se8 led to the isostructural solid solution TlIn4.8Cr0.2Se8 with only one (Wyckoff position 2a) of three In positions occupied by Cr atoms.

Cited by 1 publication

References 8 publications

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like CsxCr5Te8 Phases (0.73 < x < 1)

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like CsxCr5Te8 Phases (0.73 < x < 1)

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Substitution of indium for chromium in TlIn_5−xCr_xSe₈: crystal structure of TlIn_4.811(5)Cr_0.189(5)Se₈

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like Cs_xCr₅Te₈ Phases (0.73 < x < 1)

Synthesis, Crystal and Electronic Structure, and Thermal Conductivity Investigation of the Hollandite-like Cs_xCr₅Te₈ Phases (0.73 < x < 1)