title: High-Pressure Polymorph of NaBiO3.
abstract: A new high-pressure polymorph of NaBiO3 (hereafter β-NaBiO3) was synthesized under the conditions of 6 GPa and 600 °C. The powder X-ray diffraction pattern of this new phase was indexed with a hexagonal cell of a = 9.968(1) Å and c = 3.2933(4) Å. Crystal structure refinement using synchrotron powder X-ray diffraction data led to RWP = 8.53% and RP = 5.55%, and the crystal structure was closely related with that of Ba2SrY6O12. No photocatalytic activity for phenol decomposition was observed under visible-light irradiation in spite of a good performance for its mother compound, NaBiO3. The optical band-gap energy of β-NaBiO3 was narrower than that of NaBiO3, which was confirmed with density of states curves simulated by first-principles density functional theory calculation.
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae-cho, Kofu 400-8511, Japan.
authors.forename: Octavianti
authors.initials: O
authors.lastname: Naa
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae-cho, Kofu 400-8511, Japan.
authors.forename: Nobuhiro
authors.initials: N
authors.lastname: Kumada
authors.affiliation: Faculty of Engineering, Hokkaido University , Kita 13, Nishi 8, Kita-ku, Sapporo 060-8628, Japan.
authors.forename: Akira
authors.initials: A
authors.lastname: Miura
authors.affiliation: Center for Crystal Science and Technology, University of Yamanashi , 7-32 Miyamae-cho, Kofu 400-8511, Japan.
authors.forename: Takahiro
authors.initials: T
authors.lastname: Takei
authors.affiliation: Materials and Structural Laboratory, Tokyo Institute of Technology 4259 Nagatsuta, Midori-ku Yokohama, Kanagawa 226-8503, Japan.
authors.forename: Masaki
authors.initials: M
authors.lastname: Azuma
authors.affiliation: Department of Applied Arts and Design, Kurashiki University of Science and the Arts , 2640 Nishinoura, Tsurajima-cho, Kurashiki, Okayama 712-8505, Japan.
authors.forename: Yoshihiro
authors.initials: Y
authors.lastname: Kusano
authors.affiliation: Faculty of Science and Engineering, Chuo University , 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551, Japan.
authors.forename: Kengo
authors.initials: K
authors.lastname: Oka