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Cementite-type Y3Ru

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WALTER DE GRUYTER GMBH
DOI: 10.1515/znb-2023-0058

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yttrium; ruthenium; crystal structure; cementite type

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Single crystals of Y3Ru were obtained as a side product during phase analytical studies of yttrium-rich compounds in the system Y-Ru-Zn. The structure of Y3Ru was refined from single-crystal X-ray diffractometer data, revealing a Fe3C type structure with coordination number 9 for ruthenium atoms. Electronic structure calculations showed net charge transfer from yttrium to ruthenium, indicating covalent Y-Ru bonding. A phase-pure sample of Y3Ru was synthesized and temperature-dependent magnetic susceptibility studies showed Pauli paramagnetism.
Single crystals of Y3Ru were obtained as a side product during phase analytical studies of yttrium-rich compounds in the system Y-Ru-Zn. The structure of Y3Ru was refined from single-crystal X-ray diffractometer data: Fe3C type, Pnma, a = 732.51(7), b = 925.61(8), c = 633.66(10) pm, wR = 0.0639, 811 F-2 values, 23 variables. The ruthenium atoms have coordination number 9 in form of a strongly distorted tricapped trigonal yttrium prism with Ru-Y distances ranging from 275-391 pm. The second substructure concerns empty Y-6 octahedra (d(Y-Y) = 344-396 pm). Electronic structure calculations show a net charge transfer from yttrium to ruthenium and underpin the essentially covalent Y-Ru bonding. A phase-pure sample of Y3Ru was synthesized from the elements by arc-melting. Temperature-dependent magnetic susceptibility studies of this sample reveal Pauli paramagnetism (3.6(1) x 10(-5) emu mol(-1) at T = 300 K).

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