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

B. H. Chen; B. W. Eichhorn; H. L. Ju; R. L. Greene

doi:10.1021/ic00077a012

Synthesis, Structure, and Magnetism of BaVO_2.8: A New Perovskite-Related Vanadate with V^III/V^IV Ordering

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

Department of Physics

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

A new barium vanadium oxide, BaVO_2.8, 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 μ_eff = 1.96μ_B. The structural and magnetic data reveal ordering of V^III and V^IV 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 (d_v-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 d_calc = 5.65 g/cm³. The final R factors (Rietveld profile analysis) are R = 9.37% and R_wp = 10.34%.

Original language	English
Pages (from-to)	5715-5719
Number of pages	5
Journal	Inorganic Chemistry
Volume	32
Issue number	25
DOIs	https://doi.org/10.1021/ic00077a012
Publication status	Published - 1993

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry
Inorganic Chemistry

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@article{a9d0af4297b846f49e50ee43a418cd62,

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

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 {\AA}). Crystallographic data: hexagonal space group P{\=3}ml; a = 5.7685(2) {\AA}, c = 11.876(1) {\AA}, V= 342.22(4) {\AA}3, Z = 5, and dcalc = 5.65 g/cm3. The final R factors (Rietveld profile analysis) are R = 9.37% and Rwp = 10.34%.",

author = "Chen, {B. H.} and Eichhorn, {B. W.} and Ju, {H. L.} and Greene, {R. L.}",

year = "1993",

doi = "10.1021/ic00077a012",

language = "English",

volume = "32",

pages = "5715--5719",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

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TY - JOUR

T1 - Synthesis, Structure, and Magnetism of BaVO2.8

T2 - A New Perovskite-Related Vanadate with VIII/VIV Ordering

AU - Chen, B. H.

AU - Eichhorn, B. W.

AU - Ju, H. L.

AU - Greene, R. L.

PY - 1993

Y1 - 1993

N2 - 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%.

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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Synthesis, Structure, and Magnetism of BaVO_2.8: A New Perovskite-Related Vanadate with V^III/V^IV Ordering

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