Abstract Half antiperovskites were investigated within the series Sn 2−x In x Co 3 S 2 by X‐ray diffraction, thermal analysis, and DFT band structure calculations. The shandite type structure was confirmed from powder and single crystal diffraction for the studied compounds. Co orders like Ni in the previously studied InNi 3/2 S. SnCo 3/2 S is metrically pseudo cubic and can easily be deduced from the antiperovskite MgCo 3 C. The Curie temperature T c = −97 °C of SnCo 3/2 S was confirmed by calorimetric data. Its electronic structure indicates a spin ${1 \over 2}$ type I A half metallic ground state. Upon In doping the crystal structure becomes hexagonally distorted towards a higher c hex /a hex relation. The Curie temperature rapidly falls below −135 °C for x (In) = 0.4. A metal to semiconductor transition is predicted for ordered InSnCo 3 S 2 from its electronic band structure. For InCo 3/2 S a non magnetic metallic ground state is found.

Richard Weihrich

Irina Anusca

Zeitschrift für anorganische und allgemeine Chemie

ZAAC is an international scientific journal which publishes original papers on new relevant research results from all areas of inorganic chemistry, solid state chemistry, and co-ordination chemistry.

The contributions reflect the latest findings in these research areas and serve the development of new materials, such as super-hard materials, electrical superconductors, or intermetallic compounds. Up-to-date physical methods for the characterization of new chemical compounds and materials are also described.

The "Zeitschrift für Anorganische und Allgemeine Chemie" is an international scientific journal that publishes original papers on new and relevant research findings from all areas of inorganic chemistry, solid state chemistry, and coordination chemistry. The contributions reflect the latest discoveries in these research fields and contribute to the development of new materials, such as super-hard materials, electrical superconductors, and intermetallic compounds. Additionally, up-to-date physical methods for characterizing new chemical compounds and materials are also described.

《Zeitschrift für Anorganische und Allgemeine Chemie》是一本国际科学期刊，专注于无机化学、固态化学和配位化学领域的原创研究论文。期刊发表的文章反映了这些研究领域的最新发现，并推动新材料的发展，例如超硬材料、电超导体或金属间化合物。此外，期刊还描述了用于表征新化合物和材料的最新物理方法。

Category	Quartile
化学	4
化学, 无机化学与核化学	4

Half Antiperovskites. III. Crystallographic and Electronic Structure Effects in Sn_2−xIn_xCo₃S₂

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Category	Quartile
CHEMISTRY, INORGANIC & NUCLEAR	4

Half Antiperovskites. III. Crystallographic and Electronic Structure Effects in Sn2−xInxCo3S2

ivySCI AI Smartly Parses PDF, Answers Researchers' Questions, and Helps You Understand Papers in Seconds

Journal Info

Half Antiperovskites. III. Crystallographic and Electronic Structure Effects in Sn_2−xIn_xCo₃S₂