Crystal Structure and Thermodynamic Analysis of the New Semiconducting Chevrel Phase Re₆S₈Cl₂

Abstract

Abstract Re 6 S 8 Cl 2 single crystals have been synthesized by chemical vapour transport with chlorine as transporting agent. Structure analysis revealed that the material is isomorphous with Re 6 S 8 Br 2 and Re 6 Se 8 Br 2 but not with the lamellar Re 6 Se 8 Cl 2 . The thermal stability of this semiconducting rhenium cluster compound was simulated as a function of vapour phase composition by thermochemical calculations in the ternary system Re–S–Cl at temperatures 1000, 1200 and 1400 K. Predominance‐area phase diagrams indicate that Re 6 S 8 Cl 2 can coexist with Re and ReS 2 depending on the vapour pressure ratios of S 2 /S 2 Cl 2 and Cl 2 /Re 3 Cl 9 .