The structure solution of the F-type i-ZnMgHf from the X-ray diffraction

I. Buganski (1) , K. Toyonaga (1) , H. Takakura (1) , T. Yamada (2) , M. de Boissieu (3) , O. Pérez (4) , P. Fertey (5) , J. Wolny (6)

1 Hokkaido University [Sapporo, Japan]
2 Faculty of Science and Engineering [Waseda]
3 SIMaP - Science et Ingénierie des Matériaux et Procédés
4 CRISMAT - Laboratoire de cristallographie et sciences des matériaux
5 SSOLEIL - Synchrotron SOLEIL
6 AGH UST - AGH University of Science and Technology [Krakow, PL]

We report a successful growth of the ZnMgHf F-type icosahedral quasicrystal in the form of faceted single grains. By varying the heat treatment parameters we were able to obtain single crystals with a quality suitable for a single crystal X-ray diffraction which was conducted in a synchrotron facility. Ab initio structure solution by a charge flipping algorithm manifests the existence of two types of Bergman clusters. Clusters are differentiated by the preferential occupation of the high-symmetry positions by hafnium in a rhombic triacontahedron, being the outer shell of the atomic cluster. © 2019, © 2019 Institute of Materials, Minerals and Mining.

Keywords: Crystal growth; Icosahedral quasicrystal; X-ray diffraction

Domains: Chemical Sciences; Chemical Sciences; Cristallography; Chemical Sciences; Material chemistry; Chemical Sciences; Theoretical and/or physical chemistry

I. Buganski, K. Toyonaga, H. Takakura, T. Yamada, M. de Boissieu, et al.. The structure solution of the F-type i-ZnMgHf from the X-ray diffraction. Materials Science and Technology, 2019, Crystallographic Aspects of Metallic Alloys, 36 (9), pp.989-995. ⟨10.1080/02670836.2019.1612579⟩. ⟨hal-02278624⟩