Half antiperovskites. III - Crystallographic and electronic structure effects in Sn2-xInxCo3S2

Half antiperovskites were investigated within the series Sn2-xInxCo3S2 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 InNi3/2S. SnCo3/2S is metrically pseudo cubic and can easily be deduced from the antiperovskite MgCo3C. The Curie temperature T-c = -97 degrees C of SnCo3/2S was confirmed by calorimetric data. Its electronic structure indicates a spin (1)/(2) type I-A half metallic ground state.