title: A face-sharing bi-icosahedral model for Al₂₃⁻.
abstract: A face-sharing bi-icosahedral motif is proposed as a candidate structure of the magic cluster, Al23(-), on the basis of DFT calculations. The structure can be viewed as a quasi-molecule made of two Al13 (D3d) superatoms with an open electronic configuration via constructive overlap of 1F and 2P superatomic orbitals. A face-sharing tri-icosahedral motif is also predicted for Al33(-).
authors.affiliation: Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan. tsukuda@chem.s.u-tokyo.ac.jp.
authors.forename: K
authors.initials: K
authors.lastname: Koyasu
authors.forename: T
authors.initials: T
authors.lastname: Tsukuda