Аннотация:A single-phase sample of Mg10Ir19B16 was prepared from the elements by high-temperature treatment in
sealed Ta containers. The crystal structure of Mg10Ir19B16 (space group I-3m, a = 10.5657(2) Å, Z = 2) was
solved and refined using X-ray single crystal diffraction data. The chemical composition was confirmed by
WDXS analysis. The absence of any significant homogeneity range was proven via lattice parameter
determinations for samples of different nominal compositions. Electronic structure calculations and chemical
bonding analysis by the ELI/ED approach revealed that the basis of the Mg10Ir19B16 structure is formed by a
3D anionic framework of covalent polar B–Ir bonds. Mainly ionic interactions were found between the Mg
cations and the anionic framework, supported by additional dative Ir−Mg bonding.