title: Structure and cation distribution in perovskites with small cations at the A site: the case of ScCoO3.
abstract: We synthesize ScCoO3perovskite and its solid solutions, ScCo1-xFexO3and ScCo1-xCrxO3, under high pressure (6 GPa) and high temperature (1570 K) conditions. We find noticeable shifts from the stoichiometric compositions, expressed as (Sc1-xMx)MO3withx= 0.05-0.11 andM= Co, (Co, Fe) and (Co, Cr). The crystal structure of (Sc0.95Co0.05)CoO3is refined using synchrotron x-ray powder diffraction data: space groupPnma(No. 62),Z= 4 and lattice parametersa= 5.26766(1) Å,b= 7.14027(2) Å andc= 4.92231(1) Å. (Sc0.95Co0.05)CoO3crystallizes in the GdFeO3-type structure similar to other members of the perovskite cobaltite family,ACoO3(A3+= Y and Pr-Lu). There is evidence that (Sc0.95Co0.05)CoO3has non-magnetic low-spin Co3+ions at theBsite and paramagnetic high-spin Co3+ions at theAsite. In the iron-doped samples (Sc1-xMx)MO3withM= (Co, Fe), Fe3+ions have a strong preference to occupy theAsite of such perovskites at small doping levels.
authors.forename: Wei
authors.initials: W
authors.lastname: Yi
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory, 119992 Moscow, Russia.
authors.forename: Igor A
authors.initials: IA
authors.lastname: Presniakov
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory, 119992 Moscow, Russia.
authors.forename: Alexey V
authors.initials: AV
authors.lastname: Sobolev
authors.affiliation: Department of Chemistry, Lomonosov Moscow State University, Leninskie Gory, 119992 Moscow, Russia.
authors.forename: Yana S
authors.initials: YS
authors.lastname: Glazkova
authors.forename: Yoshitaka
authors.initials: Y
authors.lastname: Matsushita
authors.affiliation: Synchrotron X-ray Station at SPring-8, NIMS, Kohto 1-1-1, Sayo-cho, Hyogo 679-5148, Japan.
authors.forename: Masahiko
authors.initials: M
authors.lastname: Tanaka
authors.affiliation: Materials Analysis Station, NIMS, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan.
authors.forename: Kosuke
authors.initials: K
authors.lastname: Kosuda
authors.affiliation: Materials Processing Unit, NIMS, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan.
authors.forename: Yoshihiro
authors.initials: Y
authors.lastname: Tsujimoto
authors.affiliation: Superconducting Properties Unit, NIMS, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.
authors.forename: Kazunari
authors.initials: K
authors.lastname: Yamaura
authors.affiliation: International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.
authors.forename: Alexei A
authors.initials: AA
authors.lastname: Belik
keywords: cobaltites; high-pressure; low-spin Co3+ ions; perovskites