Synthesis, crystal and electronic structure of the ternary indide PrNi₂In

Chem. Met. Alloys 16 (2023) 59-65

Galyna NYCHYPORUK, Ihor MUTS, Anton KHARKHALIS, Vasyl KINZHYBALO, Volodymyr PAVLYUK, Vasyl ZAREMBA

https://doi.org/10.30970/cma16.0443

The ternary indide PrNi₂In was synthesized from the elements by arc-melting and subsequent annealing at 870 K. Single crystals were grown through special annealing procedures in a sealed tantalum container in a resistance furnace. The structure was solved from X-ray single-crystal data: PrCo₂Ga-type structure, Pmma, Z = 2, oP8, а = 5.2143(12) Å, b = 4.1068(10) Å, c = 7.127(2) Å, R1 = 0.0205, wR2 = 0.0580, 250 F² values, 17 variables. The crystal chemistry of PrNi₂In is discussed from a geometrical point of view and supported by electronic structure calculations.

Stacking columns of polyhedra in the structure of PrNi₂In.

Keywords

Single crystals / Crystal structure / Ternary indide / Density of states