Publication Date

10-1-2018

Department

Ames Laboratory; Chemistry

Campus Units

Ames Laboratory, Chemistry

OSTI ID+

1478990

Report Number

IS-J 9784

DOI

10.1016/j.jssc.2018.09.045

Journal Title

Journal of Solid State Chemistry

Volume Number

269

First Page

297

Last Page

304

Abstract

The 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.

DOE Contract Number(s)

AC02-07CH11358

Language

en

Department of Energy Subject Categories

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Available for download on Tuesday, October 01, 2019

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