The atomic structure of the Bergman-type icosahedral quasicrystal based on the Ammann-Kramer-Neri tiling.

ABSTRACT: In this study, the atomic structure of the ternary icosahedral ZnMgTm quasicrystal (QC) is investigated by means of single-crystal X-ray diffraction. The structure is found to be a member of the Bergman QC family, frequently found in Zn-Mg-rare-earth systems. The ab initio structure solution was obtained by the use of the Superflip software. The infinite structure model was founded on the atomic decoration of two golden rhombohedra, with an edge length of 21.7 Å, constituting the Ammann-Kramer-Neri tiling. The refined structure converged well with the experimental diffraction diagram, with the crystallographic R factor equal to 9.8%. The Bergman clusters were found to be bonded by four possible linkages. Only two linkages, b and c, are detected in approximant crystals and are employed to m

SUBMITTER: Buganski I 

PROVIDER: S-EPMC7053224 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature