Crystallographic study of ternary ordered skutterudite IrGe1.5Se1.5

Abstract

The crystal structure of skutterudite-related phase IrGe1.5Se1.5has been refined by the Rietveld method from laboratory X-ray powder diffraction data. Refined crystallographic data for IrGe1.5Se1.5area=12.0890(2) Å,c=14.8796(3) Å,V=1883.23(6) Å3, space groupR3(No. 148),Z=24, andDc=8.87 g/cm3. Its crystal structure can be derived from the ideal skutterudite structure (CoAs3), where Se and Ge atoms are ordered in layers perpendicular to the [111] direction of the original skutterudite cell. Weak distortions of the anion and cation sublattices were also observed.