Mg-Ni-Ge Cluster Phase with New Polyhedron

What is it about?

The ternary germanide Mg5.57Ni16Ge7.43 belongs to the Th6Mn23 structural family and has a cubic, space group Fm3m with a coordination number of 14. The structure contains a three-core-shell cluster of [GeNi8(Mg/Ge)6@Ni24@Ni32(Mg/Ge)24]. The hydrogen sorption capacity of the intermetallic at 570 K reaches 0.70 wt% H2. The electronic structure calculations confirm the dominance of metallic bonding between atoms. The crystal structure was determined using single-crystal X-ray diffraction methods.

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Why is it important?

The research on the ternary germanide Mg5.57Ni16Ge7.43 is important because it contributes to a systematic study of Mg-Ni-Ge alloys, which have potential applications as hydrogen sorption materials for energy storage systems and metal hydride batteries. This research provides a better understanding of the structural and electronic properties of these alloys, which can lead to the development of new and improved materials for energy storage and other applications. Key Takeaways: 1. The ternary germanide Mg5.57Ni16Ge7.43 has a unique three-core-shell cluster structure consisting of [GeNi8(Mg/Ge)6@Ni24@Ni32(Mg/Ge)24]. 2. The structure is characterized by a high degree of ordering, with Mg/Ge atoms occupying the 24e site and Ni1 and Ni2 atoms occupying two 32f sites. 3. The research confirms the dominance of the metallic type of bonding between atoms in the Mg5.57Ni16Ge7.43 structure. 4. The hydrogen sorption capacity of this intermetallic at 570 K reaches 0.70 wt% H2.