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Rhombohedrally Distorted γ-Brasses Cr1−xFexGa
Inorganic Chemistry
  • Hyujin Ko, Iowa State University
  • Olivier Gourdon, Oak Ridge National Laboratory
  • Delphine Gout, Oak Ridge National Laboratory
  • Eun-Deok Mun, Iowa State University
  • Srinivasa Thimmaiah, Iowa State University
  • Gordon J. Miller, Iowa State University
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A series of rhombohedrally distorted γ-brass structures containing a mixture of magnetically active 3d elements, Cr and Fe, Cr1−xFexGa, is investigated crystallographically. These structures consist of chains of trans-face-sharing Ga-centered transition metal icosahedra. Neutron powder diffraction specifically on Cr0.5Fe0.5Ga, which could be prepared as a single phase material, gave lattice constants (11 K) a = 12.5172(2) Å and c = 7.8325(2) Å and a refined composition of Cr0.502(6)Fe0.498Ga = Cr6.523Fe6.477Ga13 and revealed partial ordering of Cr and Fe atoms among three crystallographic sites. Magnetic susceptibility and magnetization studies of Cr0.5Fe0.5Ga showed the onset of magnetic ordering at ca. 25 K. Theoretical calculations suggested both site-energy and bond-energy factors influencing the Cr/Fe distribution. Heteroatomic interactions significantly affect exchange interactions and create low local magnetic moments. Models created to mimic Cr0.5Fe0.5Ga showed ferromagnetic Fe−Fe and antiferromagnetic Cr−Fe interactions, with an overall ferrimagnetic ordering.

Reprinted (adapted) with permission from Inorg. Chem., 2010, 49 (24), pp 11505–11515. Copyright 2010 American Chemical Society.

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Hyujin Ko, Olivier Gourdon, Delphine Gout, Eun-Deok Mun, et al.. "Rhombohedrally Distorted γ-Brasses Cr1−xFexGa" Inorganic Chemistry Vol. 49 Iss. 24 (2010) p. 11505 - 11515
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