Mg_29-xPt_4+y: Chemical Bonding Inhomogeneity and Structural Complexity.

ABSTRACT: Mg_29-xPt_4+y represents the family of complex intermetallic compounds (complex metallic alloys, CMAs). It crystallizes in the cubic non-centrosymmetric space group F4̅3m with a = 20.1068(2) Å and around 400 atoms in a predominantly ordered arrangement. The local disorder around the unit cell origin is experimentally resolved by single-crystal X-ray diffraction in combination with atomic-resolution transmission electron microscopy (TEM, high-angle dark-field scanning TEM) studies. The quantum theory of atoms in molecules-based analysis of atomic charges shows that the unusual mixed Mg/Pt site occupation around the origin results from local charge equilibration in this region of the crystal structure. Chemical bonding analysis reveals f

SUBMITTER: Agnarelli L 

PROVIDER: S-EPMC9554903 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature