The layered antimonides RELi3Sb2 (RE=Ce–Nd, Sm, Gd–Ho). Filled derivatives of the CaAl2Si2 structure type.

Abstract: Reported are the synthesis and the structural characterization of an extended family of rare-earth metal–lithium–antimonides with the formula RELi3Sb2 (RE=Ce–Nd, Sm, Gd–Ho). They crystallize in the trigonal space group (No. 164, Pearson symbol hP6) with a structure, best viewed as a filled derivative of the common CaAl2Si2 structure type (ternary variant of α-La2O3). Across the series, the lattice parameters monotonically decrease, following the lanthanide contraction. Temperature-dependent magnetic susceptibility measurements for CeLi3Sb2, PrLi3Sb2 and TbLi3Sb2 reveal paramagnetic behavior in the high temperature range, and the obtained effective moments are consistent with the expected ones for the free-ion RE 3+ ground state. Possible ferromagnetic ordering for PrLi3Sb2 and antiferromagnetic ordering for TbLi3Sb2 are observed in the low temperature range (below 20K). Tight-binding muffin-tin orbital electronic band structure calculations for LaLi3Sb2 are presented and discussed as well. [Copyright &y& Elsevier]