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Synthesis, Crystal Structure, and Magnetic Properties of Novel Intermetallic Compounds R2Co2SiC (R = Pr, Nd)

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    Synthesis, Crystal Structure, and Magnetic Properties of Novel Intermetallic Compounds R2Co2SiC (R = Pr, Nd)
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    † Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, United States
    ‡ Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
    *E-mail: [email protected]
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    Inorganic Chemistry

    Cite this: Inorg. Chem. 2014, 53, 12, 6141–6148
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    https://doi.org/10.1021/ic5005984
    Published June 5, 2014
    Copyright © 2014 American Chemical Society
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    Abstract

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    The intermetallic compounds R2Co2SiC (R = Pr, Nd) were prepared from the reaction of silicon and carbon in either Pr/Co or Nd/Co eutectic flux. These phases crystallize with a new stuffed variant of the W2CoB2 structure type in orthorhombic space group Immm with unit cell parameters a = 3.978(4) Å, b = 6.094(5) Å, c = 8.903(8) Å (Z = 2; R1 = 0.0302) for Nd2Co2SiC. Silicon, cobalt, and carbon atoms form two-dimensional flat sheets, which are separated by puckered layers of rare-earth cations. Magnetic susceptibility measurements indicate that the rare earth cations in both analogues order ferromagnetically at low temperature (TC ≈ 12 K for Nd2Co2SiC and TC ≈ 20 K for Pr2Co2SiC). Single-crystal neutron diffraction data for Nd2Co2SiC indicate that Nd moments initially align ferromagnetically along the c axis around ∼12 K, but below 11 K, they tilt slightly away from the c axis, in the ac plane. Electronic structure calculations confirm the lack of spin polarization for Co 3d moments.

    Copyright © 2014 American Chemical Society

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    Supporting Information

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    Comparison of Nd2Co2SiC and W2CoB2 structure types. Neutron diffraction refinement parameters for Nd2Co2SiC at 4 K and goodness-of-fit plot for magnetic structure characterization. Powder diffraction patterns of arc-melted Nd2Co2SiC and flux grown Nd2Co2–xFexSiC with varying amounts of iron added. Magnetic susceptibility data for Nd2Co2SiC crystals. Spin-polarized partial DOS plot for cobalt in Nd2Co2SiC. Single-crystal X-ray crystallographic information files (CIF) for both investigated compounds. This material is available free of charge via the Internet at http://pubs.acs.org.

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    This article is cited by 10 publications.

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    10. Sixuan Zhou, Trinath Mishra, Man Wang, Michael Shatruk, Huibo Cao, Susan E. Latturner. ChemInform Abstract: Synthesis, Crystal Structure, and Magnetic Properties of Novel Intermetallic Compounds R 2 Co 2 SiC (R: Pr, Nd).. ChemInform 2014, 45 (33) https://doi.org/10.1002/chin.201433025
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    Inorganic Chemistry

    Cite this: Inorg. Chem. 2014, 53, 12, 6141–6148
    Click to copy citationCitation copied!
    https://doi.org/10.1021/ic5005984
    Published June 5, 2014
    Copyright © 2014 American Chemical Society
    Request reuse permissions

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