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• W2318056237 abstract "Polycrystalline samples and single crystals of the new compound Ag3In2Mo15Se19 were synthesized by solid-state reaction in a sealed molybdenum crucible at 1300 °C. Its crystal structure (space group R3̅c, a = 9.9755(1) Å, c = 57.2943(9) Å, and Z = 6) was determined from single-crystal X-ray diffraction data and constitutes an Ag-filled variant of the In2Mo15Se19 structure-type containing octahedral Mo6 and bioctahedral Mo9 clusters in a 1:1 ratio. The increase of the cationic charge transfer due to the Ag insertion induces a modification of the Mo–Mo distances within the Mo clusters that is discussed with regard to the electronic structure. Transport properties were measured in a broad temperature range (2–1000 K) to assess the thermoelectric potential of this compound. The transport data indicate an electrical conduction dominated by electrons below 25 K and by holes above this temperature. The metallic character of the transport properties in this material is consistent with electronic band structure calculations carried out using the linear muffin-tin orbital (LMTO) method. The complex unit cell, together with the cagelike structure of this material, results in very low thermal conductivity values (0.9 W m–1 K–1 at 300 K), leading to a maximum estimated thermoelectric figure of merit (ZT) of 0.45 at 1100 K." @default.
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• W2318056237 date "2012-07-20" @default.
• W2318056237 modified "2023-10-18" @default.
• W2318056237 title "Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag₃In₂Mo₁₅Se₁₉" @default.
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• W2318056237 doi "https://doi.org/10.1021/cm3009557" @default.
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