Crystal, electronic structure and hydrogenation properties of the Mg5.57Ni16Ge7.43 cluster phase with a new type of polyhedron
Nazar Pavlyuk,
Grygoriy Dmytriv,
Alina Bondaruk
et al.
Abstract:The ternary germanide Mg5.57Ni16Ge7.43 (cubic, space group Fm\overline{3}m, cF116) belongs to the structural family based on the Th6Mn23-type. The Ge1 and Ge2 atoms fully occupy the 4a (m\overline{3}m symmetry) and 24d (m.mm) sites, respectively. The Ni1 and Ni2 atoms both fully occupy two 32f sites (.3m symmetry). The Mg/Ge statistical mixture occupies the 24e site with 4m.m symmetry. The structure of the title compound contains a three-core-shell cluster. At (0,0,0), there is a Ge1 atom which is surrounded b… Show more
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