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Hydrothermal Synthesis and Characterization of Novel Brackebuschite-Type Transition Metal Vanadates [electronic resource] : Ba <sub>2</sub> M(VO <sub>4</sub> ) <sub>2</sub> (OH), M = V <sup>3+</sup> , Mn <sup>3+</sup> , and Fe <sup>3+</sup> , with Interesting Jahn–Teller and Spin-Liquid Behavior

Additional Titles
V <sup>3+<
Published
Washington, D.C. : United States. Dept. of Energy. Office of Science, 2015.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
pages 7,014-7,020 : digital, PDF file
Additional Creators
Oak Ridge National Laboratory, United States. Department of Energy. Office of Science, National Science Foundation (U.S.), and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
In a new series of transition metal vanadates, namely, Ba2M(VO4)2(OH) (M = V3+, Mn3+, and Fe3+), was synthesized as large single crystals hydrothermally in 5 M NaOH solution at 580 °C and 1 kbar. This new series of compounds is structurally reminiscent of the brackebuschite mineral type. The structure of Ba2V(VO4)2(OH) is monoclinic in space group P21/m, a = 7.8783(2) Å, b = 6.1369(1) Å, c = 9.1836(2) Å, β = 113.07(3)°, V = 408.51(2) Å3. Moreover, the other structures are similar and consist of one-dimensional trans edge-shared distorted octahedral chains running along the b-axis. The vanadate groups bridge across edges of their tetrahedra. Structural analysis of the Ba2Mn(VO4)2(OH) analogue yielded a new understanding of the Jahn–Teller effect in this structure type. Raman and infrared spectra were investigated to observe the fundamental vanadate and hydroxide vibrational modes. Finally, single-crystal temperature-dependent magnetic studies on Ba2V(VO4)2(OH) reveal a broad feature over a wide temperature range with maximum at ~100 K indicating that an energy gap could exist between the antiferromagnetic singlet ground state and excited triplet states, making it potentially of interest for quantum magnetism studies.
Report Numbers
E 1.99:1265840
Subject(s)
Note
Published through SciTech Connect.
07/08/2015.
"KC0202020"
"ERKCS82"
Inorganic Chemistry 54 14 ISSN 0020-1669 AM
Liurukara D. Sanjeewa; Michael A. McGuire; Vasile O. Garlea; Longyu Hu; George Chumanov; Colin D. McMillen; Joseph W. Kolis.
Funding Information
AC05-00OR22725
View MARC record | catkey: 24044891