Γ-brasses in the Mn-Zn System: an Experimental and Computational Study

Publication date: Available online 1 October 2018Source: Journal of Solid State ChemistryAuthor(s): Stephanie Eveland, Srinivasa Thiminaiah, Madalynn G. Marshall, Gordon MillerAbstractThe synthesis and characterization of Ni2Zn11-type γ-brasses with composition Mn2+xZn11−x (x = 0.06−0.60) are reported. The synthesis follows standard high temperature methods and characterization by single crystal X-ray diffraction (SCXRD) and powder X-ray Diffraction (PXRD) techniques as well as Energy Dispersive Spectroscopy (EDS). First principles electronic structure calculations showed preferential heteroatomic Mn−Zn bonding and repulsive effects of Zn−Zn 3d−3d orbital overlap that influence the metal atom distribution in the structure. Local bonding environments and the relationship of Mn2+xZn11-x to other γ-brasses containing 3d metals such as PdCoZn11 and Ni2Zn11 are discussed.Graphical abstarct
Source: Journal of Solid State Chemistry - Category: Chemistry Source Type: research