Abstract
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 F2 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 Y6 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) × 10−5 emu mol−1 at T = 300 K).
Funding source: Universität Münster
Acknowledgments
We thank MSc Tim Pier and Prof. Dr. Thomas Jüstel (FH Münster) for letting us use the scanning electron microscope.
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Research ethics: Not applicable.
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Author contributions: All authors have accepted responsibility for the entire content of this submitted manuscript and approved the submission.
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Competing interests: The authors declare no conflicts of interest regarding this article.
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Research funding: This research was funded by Universität Münster and Deutsche Forschungsgemeinschaft (INST 211/1034-1).
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Data availability: Data is available from the corresponding author on well-founded request.
References
1. Bhadeshia, H. K. D. H. Int. Mater. Rev. 2020, 65, 1–27; https://doi.org/10.1080/09506608.2018.1560984.Search in Google Scholar
2. Westgren, A., Phragmén, G. Z. Phys. Chem. 1922, 102, 1–25; https://doi.org/10.1515/zpch-1922-10202.Search in Google Scholar
3. Westgren, A., Phragmén, G. J. Iron Steel Inst. 1924, 109, 159–174.Search in Google Scholar
4. Lipson, H., Petch, N. J. J. Iron Steel Inst. 1940, 142, 95–103.Search in Google Scholar
5. Fasiska, E. J., Jeffrey, G. A. Acta Crystallogr. 1965, 19, 463–471; https://doi.org/10.1107/s0365110x65003602.Search in Google Scholar
6. Villars, P., Cenzual, K., Eds. Pearson’s Crystal Data: Crystal Structure Database for Inorganic Compounds (release 2022/23); ASM International®: Materials Park, Ohio (USA), 2022.Search in Google Scholar
7. Wood, B. J. Earth Planet. Sci. Lett. 1993, 117, 593–607; https://doi.org/10.1016/0012-821x(93)90105-i.Search in Google Scholar
8. Brett, R. Science 1966, 153, 60–62; https://doi.org/10.1126/science.153.3731.60.Search in Google Scholar PubMed
9. Wood, I. G., Vočadlo, L., Knight, K. S., Dobson, D. P., Marshall, W. G., Price, G. D., Brodholt, J. J. Appl. Crystallogr. 2004, 37, 82–90; https://doi.org/10.1107/s0021889803024695.Search in Google Scholar
10. Prescher, C., Dubrovinsky, L., McCammon, C., Glazyrin, K., Nakajima, Y., Kantor, A., Merlini, M., Hanfland, M. Phys. Rev. B 2012, 85, 140402; https://doi.org/10.1103/physrevb.85.140402.Search in Google Scholar
11. Sanjines Zeballos, R., Chabot, B., Parthé, E. J. Less-Common Met. 1980, 72, P17–P20; https://doi.org/10.1016/0022-5088(80)90264-7.Search in Google Scholar
12. Sharifrazi, P., Mohanty, R. C., Raman, A. Z. Metallkd. 1984, 75, 801–805; https://doi.org/10.1515/ijmr-1984-751011.Search in Google Scholar
13. Gulay, N. L., Reimann, M. K., Kalychak, Y. M., Pöttgen, R. Z. Anorg. Allg. Chem. 2022, 648, 49–57.10.1002/zaac.202100356Search in Google Scholar
14. Johnscher, M., Block, T., Pöttgen, R. Z. Anorg. Allg. Chem. 2015, 641, 369–374; https://doi.org/10.1002/zaac.201400475.Search in Google Scholar
15. Pöttgen, R., Gulden, T., Simon, A. GIT Labor-Fachz. 1999, 43, 133–136.Search in Google Scholar
16. Yvon, K., Jeitschko, W., Parthé, E. J. Appl. Crystallogr. 1977, 10, 73–74; https://doi.org/10.1107/s0021889877012898.Search in Google Scholar
17. Palatinus, L. Acta Crystallogr. 2013, B69, 1–16; https://doi.org/10.1107/s0108768112051361.Search in Google Scholar
18. Palatinus, L., Chapuis, G. J. Appl. Crystallogr. 2007, 40, 786–790; https://doi.org/10.1107/s0021889807029238.Search in Google Scholar
19. Petříček, V., Dušek, M., Palatinus, L. Z. Kristallogr. 2014, 229, 345–352; https://doi.org/10.1515/zkri-2014-1737.Search in Google Scholar
20. Hohenberg, P., Kohn, W. Phys. Rev. 1964, 136, B864–B871; https://doi.org/10.1103/physrev.136.b864.Search in Google Scholar
21. Kohn, W., Sham, L. J. Phys. Rev. 1965, 140, A1133–A1138; https://doi.org/10.1103/physrev.140.a1133.Search in Google Scholar
22. Perdew, J. P., Burke, K., Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865–3868; https://doi.org/10.1103/physrevlett.77.3865.Search in Google Scholar
23. Bader, R. F. W. Chem. Rev. 1991, 91, 893–928; https://doi.org/10.1021/cr00005a013.Search in Google Scholar
24. Bader, R. F. W. J. Phys. Chem. A 1998, 102, 7314–7323; https://doi.org/10.1021/jp981794v.Search in Google Scholar
25. Eyert, V. The Augmented Spherical Wave Method. A Comprehensive Treatment, Lecture Notes in Physics; Springer: Heidelberg, 2007.Search in Google Scholar
26. Hoffmann, R. Angew. Chem. Int. Ed. Engl. 1987, 26, 846–878; https://doi.org/10.1002/anie.198708461.Search in Google Scholar
27. OriginPro 2021b (version 9.8.5.201); OriginLab Corp.: Northampton, Massachusetts (USA), 2021.Search in Google Scholar
28. CorelDRAW Graphics Suite 2017 (version 19.0.0.328); Corel Corporation: Ottawa, Ontario (Canada), 2017.Search in Google Scholar
29. Bock, O., Müller, U. Acta Crystallogr. 2002, B58, 594–606; https://doi.org/10.1107/s0108768102001490.Search in Google Scholar PubMed
30. Emsley, J. The Elements; Oxford University Press: Oxford, 1999.Search in Google Scholar
31. Schappacher, F. M., Pöttgen, R. Monatsh. Chem. 2008, 139, 1137–1142; https://doi.org/10.1007/s00706-008-0908-2.Search in Google Scholar
32. Benndorf, C., Eckert, H., Janka, O. Dalton Trans. 2017, 46, 1083–1092; https://doi.org/10.1039/c6dt04314c.Search in Google Scholar PubMed
33. Hughbanks, T., Corbett, J. D. Inorg. Chem. 1989, 28, 631–635; https://doi.org/10.1021/ic00303a004.Search in Google Scholar
34. Donohue, J. The Structures of the Elements; Wiley: New York, 1974.Search in Google Scholar
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