Zn13(CrxAl1−x)27 (x = 0.34–0.37): a new intermetallic phase containing icosahedra as building units
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Srinivasa Thimmaiah
Abstract
The title compounds Zn13(CrxAl1–x)27 (x = 0.34–0.37) were obtained by melting the pure elements at 923 K, and followed by a heat treatment at 723 K in a tantalum container. According to single crystal structural analysis, the title compounds crystallize in the rhombohedral system, adopting a new structure type (R-3m, a = 7.5971(8), c = 36.816(6), for crystal I). Single crystal X-ray structural analysis reveals a statistical mixing of Cr/Al in their crystallographic positions. Single crystal and powder X-ray diffraction as well as energy dispersive X-ray analyses suggested the title phase to have a narrow homogeneity range. The substructure of Zn13(CrxAl1–x)27 shows close resemblance with the Mn3Al10 structure type. A bonding analysis, through crystal orbital Hamiltonian populations (COHPs), of “Cr9Al18Zn13” as a representative composition indicated that both homo- and heteronuclear interactions are important for the stability of this new phase.
© by Oldenbourg Wissenschaftsverlag, Iowa 50011, Germany
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Articles in the same Issue
- Hans Georg von Schnering Memorial
- Density functional analysis of the electronic structure of Cs9InO4:Evidence for the presence of a Cs– anion
- Zn13(CrxAl1−x)27 (x = 0.34–0.37): a new intermetallic phase containing icosahedra as building units
- Modeling martensic transformations in crystalline solids: validity and redesign of geometric approaches
- Isostructural phase transition in the spin crossover compound [Fe(dpp)2(NCS)2] · py
- Synthesis and crystal structure of Ba2In – how binary are binary phase diagrams?
- Structure and properties of EuTSb (T = Cu, Pd, Ag, Pt, Au) and YbIrSb
- Crystal formation from glass, crystal structure refinement and thermal behavior of K1−xRbxBSi2O6 boroleucite solid solutions from X-ray powder diffraction data
- (Bi9)4[Bi3Pb9Br47]: Probing the limits of the concept “crystal”
