YPdSn and YPd2Sn: Structure, 89Y solid state NMR and 119Sn Mössbauer spectroscopy

Abstract

The stannides YPdSn and YPd2Sn were synthesized by high-frequency melting of the elements in sealed tantalum tubes. Both structures were refined on the basis of single crystal X-ray diffractometer data: TiNiSi type, Pnma, a=715.4(1), b=458.8(1), c=789.1(1)pm, wR2=0.0461, 510F2 values, 20 variables for YPdSn and MnCu2Al type, Fm3¯m, a=671.44(8), wR2=0.0740, 55 F2 values, 5 parameters for YPd2Sn. The yttrium atoms in the new stannide YPdSn are coordinated by two tilted Pd3Sn3 hexagons (ordered AlB2 superstructure). In the Heusler phase YPd2Sn each yttrium atom has octahedral tin coordination and additionally eight palladium neighbors. The cubic site symmetry of yttrium is reflected in the 119Sn Mössbauer spectrum which shows no quadrupole splitting. In contrast, YPdSn shows a single signal at δ=1.82(1)mm/s subjected to quadrupole splitting of ΔEQ=0.93(1)mm/s. Both compounds have been characterized by high-resolution 89Y solid state NMR spectroscopy, which indicates the presence of strong Knight shifts. The spectrum of YPd2Sn is characterized by an unusually large linewidth, suggesting the presence of a Knight shift distribution reflecting local disordering effects. The range of 89Y Knight shifts of several binary and ternary intermetallic yttrium compounds is briefly discussed.