Zn13(CrxAl1-x)27 (x = 0.34-0.37): a new intermetallic phase containing icosahedra as building units
The title compounds Zn{sub 13}(Cr{sub x}Al{sub 1-x}){sub 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 Zn{sub 13}(Cr{sub x}Al{sub 1-x}){sub 27} shows close resemblance with the Mn{sub 3}Al{sub 10} structure type. A bonding analysis, through crystal orbital Hamiltonian populations (COHPs), of 'Cr{sub 9}Al{sub 18}Zn{sub 13}' as a representative composition indicated that both homo- and heteronuclear interactions are important for the stability of this new phase.
- Research Organization:
- Ames Lab., Ames, IA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- DE-AC02-07CH11358
- OSTI ID:
- 1025606
- Report Number(s):
- IS-J 7617; TRN: US201120%%724
- Journal Information:
- Zeitschrift fuer Kristallographie, Vol. 226, Issue 7
- Country of Publication:
- United States
- Language:
- English
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