Synthesis and characterization of La11+xHg45−x and RE11Hg44.5 (RE = Nd, Sm) as hettotypes of the Sm11Cd45 structure type

TOC caption for manuscript Synthesis and characterization of La11+xHg45−x and RE11Hg44.5 (RE=Nd, Sm) as hettotypes of the Sm11Cd45 structure type”, manuscript number JSSC-16-617. The amalgams La11+xHg45−x and RE11Hg44.5 (RE=Nd, Sm) show interesting structural disorder features. They belong to the common hettotype Sm11Cd45 but show distinct mixed occupations, underoccupations and relaxations within a complex crystal structure. The reason for the subtle and individual differences from the hettotype does not originate from electronic reasons, as shown by band structure calculations. Analysis of electronic structure and Bader charges shows the typical behavior of Hg-rich rare earth metal amalgams: strong ionic bonding contributions are included in an overall metallic matrix.292