Structure refinement and properties of Cr3C2 [German]

摘要

Cr3C2 was obtained from arc-melting of pellets made of carbon and chromium. The structure of Cr3C2 was determined by single crystal X-ray diffraction (Pnma, Z = 4, a = 553.99(6), b = 283.27(4), c = 1149.4(1) pm, R-1 = 0.019 and wR(2) = 0.037 for all collected reflections). The crystal structure contains isolated carbon atoms which reside inside of trigonal prismatic voids of metal atoms. The compound exhibits temperature independent paramagnetism. The electronic structure of Cr3C2 has been investigated using extended Hijckel calculations. [References: 13]