Synthesis, Structure, and Magnetism of BaVO2.8: A New Perovskite-Related Vanadate with VIII/VIV Ordering

B. H. Chen, B. W. Eichhorn, Honglyoul Ju, R. L. Greene

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

A new barium vanadium oxide, BaVO2.8, was prepared from BaO and VO2 in an evacuated silica ampule at 1100 °C for 10 h with excess Zr getter. The compound consists of interleaving perovskite layers (two corner-sharing VO6 octahedra) and BaNiO3 type layers (three face-sharing VO6 octahedra) along the c-axis. Curie-Weiss magnetic behavior was observed with μeff = 1.96μB. The structural and magnetic data reveal ordering of VIII and VIV cations at the corner-sharing and face-sharing octahedral holes, respectively. Qualitative molecular orbital analysis indicates M-M bonding in the face sharing [V3O12]12− fragments with net 1/2 bond orders per V-V interaction (dv-v = 2.62 Å). Crystallographic data: hexagonal space group P3̄ml; a = 5.7685(2) Å, c = 11.876(1) Å, V= 342.22(4) Å3, Z = 5, and dcalc = 5.65 g/cm3. The final R factors (Rietveld profile analysis) are R = 9.37% and Rwp = 10.34%.

Original languageEnglish
Pages (from-to)5715-5719
Number of pages5
JournalInorganic Chemistry
Volume32
Issue number25
DOIs
Publication statusPublished - 1993 Jan 1

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Rietveld analysis
Vanadium
Vanadates
vanadates
R Factors
Magnetism
Molecular orbitals
Barium
Silicon Dioxide
Oxides
Cations
barium oxides
vanadium oxides
synthesis
molecular orbitals
fragments
silicon dioxide
cations
profiles
interactions

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Chen, B. H. ; Eichhorn, B. W. ; Ju, Honglyoul ; Greene, R. L. / Synthesis, Structure, and Magnetism of BaVO2.8 : A New Perovskite-Related Vanadate with VIII/VIV Ordering. In: Inorganic Chemistry. 1993 ; Vol. 32, No. 25. pp. 5715-5719.
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Synthesis, Structure, and Magnetism of BaVO2.8 : A New Perovskite-Related Vanadate with VIII/VIV Ordering. / Chen, B. H.; Eichhorn, B. W.; Ju, Honglyoul; Greene, R. L.

In: Inorganic Chemistry, Vol. 32, No. 25, 01.01.1993, p. 5715-5719.

Research output: Contribution to journalArticle

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AU - Greene, R. L.

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AB - A new barium vanadium oxide, BaVO2.8, was prepared from BaO and VO2 in an evacuated silica ampule at 1100 °C for 10 h with excess Zr getter. The compound consists of interleaving perovskite layers (two corner-sharing VO6 octahedra) and BaNiO3 type layers (three face-sharing VO6 octahedra) along the c-axis. Curie-Weiss magnetic behavior was observed with μeff = 1.96μB. The structural and magnetic data reveal ordering of VIII and VIV cations at the corner-sharing and face-sharing octahedral holes, respectively. Qualitative molecular orbital analysis indicates M-M bonding in the face sharing [V3O12]12− fragments with net 1/2 bond orders per V-V interaction (dv-v = 2.62 Å). Crystallographic data: hexagonal space group P3̄ml; a = 5.7685(2) Å, c = 11.876(1) Å, V= 342.22(4) Å3, Z = 5, and dcalc = 5.65 g/cm3. The final R factors (Rietveld profile analysis) are R = 9.37% and Rwp = 10.34%.

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