Highly stable cooperative distortion in a weak Jahn-Teller d 2 cation: Perovskite-type ScVO 3 obtained by high-pressure and high-temperature transformation from bixbyite

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DOIResolve DOI: http://doi.org/10.1021/ja109376s
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TypeArticle
Journal titleJournal of the American Chemical Society
ISSN0002-7863
Volume133
Issue22
Pages85528563; # of pages: 12
SubjectAntiferromagnetics; Bixbyite; Electrical conductivity; High-pressure and high-temperature; Jahn-Teller; Lattice parameters; Long-range ordering; Magnetic superstructures; Orthorhombic perovskite; Orthorhombic symmetry; Oxygen octahedra; Perovskite phase; Propagation vector; Room temperature; Space Groups; Triclinic symmetry; Vanadium ions; Antiferromagnetism; Electric conductivity; Magnetic moments; Positive ions; Scandium; Vanadium; Vanadium alloys; Vector spaces; Perovskite; cation; ferromagnetic material; ion; oxygen; perovskite; scandium; vanadium; article; electric conductivity; high temperature; magnetism; room temperature; synthesis
AbstractA novel ScVO 3 perovskite phase has been synthesized at 8 GPa and 1073 K from the cation-disordered bixbyite-type ScVO 3. The new perovskite has orthorhombic symmetry at room temperature, space group Pnma, and lattice parameters a = 5.4006(2) Å, b = 7.5011(2) Å, and c = 5.0706(1) Å with Sc 3+ and V 3+ ions fully ordered on the A and B sites of the perovskite cell. The vanadium oxygen octahedra [V-O 6] display cooperative Jahn-Teller (JT) type distortions, with predominance of the tetragonal Q 3 over the orthorhombic Q 2 JT modes. The orthorhombic perovskite shows Arrhenius-type electrical conductivity and undergoes a transition to triclinic symmetry space group P-1 close to 90 K. Below 60 K, the magnetic moments of the 4 nonequivalent vanadium ions undergo magnetic long-range ordering, resulting in a magnetic superstructure of the perovskite cell with propagation vector (0.5, 0, 0.5). The magnetic moments are confined to the xz plane and establish a close to zigzag antiferromagnetic mode. © 2011 American Chemical Society.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC); NRC Canadian Neutron Beam Centre (CNBC-CCFN)
Peer reviewedYes
NPARC number21271473
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Record identifier998b1663-a49e-42d3-9b25-fb2b565065c1
Record created2014-03-24
Record modified2016-05-09
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