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Abstract:
The cage compound Ba3Ge16Ir4 crystallizes with the Ba3Ge16Rh4 type of
crystal structure, which represents a hierarchical derivative of the
BaAl4 type. The crystal structure [Pearson symbol tI46, space group
I4/mmm; a = 6.5312(2) angstrom, c = 22.2845(6) angstrom] was refined
from single-crystal X-ray diffraction data. The phase was obtained after
10 d at 910 degrees C with small impurities of clathrate-I, BaGe7Ir2 and
-Ge remaining at the grain boundaries. Ba3Ge16Ir4 is a
Pauli-paramagnetic metal, which becomes superconducting below T-c = 5.1
K. Electronic structure and analysis of the chemical bonding were
performed based on density functional theory calculations. The physical
properties are discussed in comparison to the isotypic phase Ba3Ge16Rh4.
