Crystalline and Electronic Structures of the AlVSn ( = 0.19) Intermetallic Compound.

A new ternary phase with a composition AlVSn ( = 0.19) has been found during investigation of the Al-V-Sn ternary system. Single-crystal X-ray diffraction measurements reveal that this ternary phase crystallizes with an orthorhombic structure with = 5.5931(1) Å, = 18.8017(5) Å, and = 6.7005(2) Å (space group ). This compound is thus isostructural to the GaVSn structure type, showing a layered structure composed of vanadium cluster bands formed with pentagonal faces intercalated by Sn atom layers. High-resolution transmission electron microscopy measurements confirm the orthorhombic structure. Regarding lattice perfection, no dislocation could be identified within the probed AlVSn single-crystal lamella. Ab initio calculations reveal a reduction of the density of states at the Fermi level, which could be attributed to both a Hume-Rothery effect combined with strong spd hybridization.