PROCEEDINGS OF THE SHEVCHENKO SCIENTIFIC SOCIETY

Chemical Sciences

Archive / Том LVI 2019

Volodymyr BABIZHETSKYY, Bogdan KOTUR, Volodymyr LEVYTSKYY

Ivan Franko National University of Lviv, Kyryla and Mefodiya Str. 6, UA-79005 Lviv, Ukraine

DOI: https://doi.org/10.37827/ntsh.chem.2019.56.045

PHASE EQUILIBRIA AND CRYSTAL STRUCTURE OF THE TERNARY COMPOUNDS IN Dy–B–C SYSTEM AT 1270 K

The phase equilibria at 1270 K in the Dy–B–C system were studied using X-ray diffraction, scanning electron microscopy and electron probe microanalysis. Eleven ternary compounds were detected. The existence of DyB2C2, Dy2B4C, DyB2C, Dy5B2C5, Dy5B2C6, Dy2B2C3, Dy4B3C4, Dy10B7C10, Dy15B4C14 was confirmed. Two new ternary compounds ~Dy2BC3 and ~Dy4B5C18 with unknown crystal structure were isolated. The tetragonal structure of DyB2C2 was solved from the X-ray single crystal data: space group P4/mbm, Z = 2, a = 5.345(1), c = 3.5600(5) Å, R1 = 0.046 (wR2 = 0.049) for 585 reflections with Io > 2σ (Io)). The composition of earlier known ternary compound “DyBC” was refined to be Dy2B2C3 by electron probe microanalysis. Additionally, the phase of Dy5B2C6 was analyzed showing a broad homogeneity range described by the formula Dy5(BC)x where (7.5 ≤ x ≤ 9.0).

Keywords: phase equilibria, single crystal, crystal structure.

References:

  1. Babizhetskyy V., Bauer J., Gautier R., Hiebl K., Simon A., Halet J.-F. Chapter 302: Structural, electronic and physical properties of solid-state rare-earth boride carbides, in: Handbook on the Physics and Chemistry of the Rare Earths: including Actinides. Vol. 53 (Eds. Bünzli J.-C. G., Pecharsky V. K.). North-Holland, Amsterdam, 2018. pp. 145-269. (doi: 10.1016/bs.hpcre.2018.05.001).
  2. Shi Y., Leithe-Jasper A., Tanaka T. New ternary compounds Sc3B0.75C3, Sc2B1.1C3.2, ScB15C1.60 and subsolidus phase relations in the Sc-B-C system at 1700°C. J. Solid State Chem. 1999. Vol. 148. P. 250-259. (doi: 10.1006/jssc.1999.8446).
  3. Bauer J., Nowotny H. Der Dreistoff Yttrium–Bor–Kohlenstoff. Monatsh. Chem. 1971. Vol. 102. P. 1129-1145. (doi: 10.1007/BF00909940).
  4. Babizhetskyy V., Simon A., Bauer J. Interaction of lanthanum with boron and carbon: phase diagram and structural chemistry. Monatsh. Chem. 2014. Vol. 145. P. 869-876. (doi: 10.1007/s00706-014-1172-2).
  5. Babizhetskyy V., Hembara M., Levytskyy V. Phase equilibria in Ce–B–C system at 1270 K and 970 K. Proc. Shevchenko Sci. Soc. Chem. Sci. 2016. Vol. XLIV. P. 21–29 (in Ukrainian).
  6. Babizhetskyy V., Simon A., Halet J.-F. Investigations in the ternary praseodymium-boron-carbon system: solid-state phase diagram and structural chemistry. Solid State Sci. 2015. Vol. 47. P. 73-77. (doi: 10.1016/j.solidstatesciences.2014.12.008).
  7. Schwetz K. A., Hoerle M., Bauer J. Contribution to the system Europium–Boron–Carbon. Ceramurgia Intl. 1979. Vol. 5. P. 105-109. (doi: 10.1016/0390-5519(79)90014-0).
  8. Ruiz D., Garland M. T., Saillard J.-Y., Halet J.-F., Bohn M., Bauer J. Electron probe microanalysis in the ternary Gd-B-C system. Solid State Sci. 2002. Vol. 4. P. 1173-1178. (doi:10.1016/S1293-2558(02)01382-1).
  9. Babizhetskyy V., Levytskyy V. Phase equilibria and crystal structure of compounds of the Tb–B–C system at 1270 K. Visnyk Lviv Univ. Ser. Khim. 2019. Is. 60. Pt. 1. P. 12–20 (in Ukrainian). (doi:10.30970/vch.6001.012).
  10. Bauer J., Venneguès P., Vergneau J. L. The ternary system Holmium–Boron–Carbon; isothermal section at 1500°C. J. Less-Common Met. 1985. Vol. 110. P. 295-298. (doi:10.1016/0022-5088(85)90335-2).
  11. Babizhetskyy V. Phase equilibria in Er–B–C system at 1270 K. Visnyk Lviv Univ. Ser. Khim. 2017. Is. 58. Pt. 1. P. 3–12 (in Ukrainian).
  12. Akselrud L., Grin Y. WinCSD: software package for crystallographic calculations (Version 4). J. Appl. Crystallogr. 2014. Vol. 47. P. 803–805. (doi:10.1107/S1600576714001058).
  13. Stoe WinXPOW (Version 2.1). Stoe & Cie GmbH, Darmstadt, Germany, 2004.
  14. Altomare A., Burla M. C., Camalli M. et al. SIR97: a new program for solving and refining crystal structures. J. Appl. Crystallogr. 1999. Vol. 32. P. 115–119 (https://doi.org/10.1107/S0021889898007717).
  15. Sheldrick G. M. A short history of SHELX. Acta Crystallogr. 2008. Vol. A64. P. 112–122. (doi:10.1107/S0108767307043930)
  16. Farrugia L. J. WinGX and ORTEP for Windows: an update. J. Appl. Crystallogr. 2012. Vol. 45. P. 849–854. (doi:10.1107/S0021889812029111).
  17. Yamauchi H., Onodera H., Ohoyama K., et al. Antiferroquadropular ordering and magnetic properties of the tetragonal DyB2C2 compound. J. Phys. Soc. Japan. 1999. Vol. 68(6) P. 2057–2066.
  18. Bidaud E., Hiebl K., Bauer J. Structural and magnetic properties of the rare-earth borocarbides. R6B2C6 (R=Y, Ce–Tm). J. Alloys Compd. 2001, Vol. 316. P. 75–81 (https://doi.org/10.1016/S0925-8388(00)01483-3).
  19. Oeckler O., Mattausch Hj., Bauer J., Simon A. Ordnung und Fehlordnung der Anionen in tetragonalen Boridcarbiden der Seltenerdmetalle. Z. Naturforsch. 2004, Vol. 59b. P. 1551–1562. (https://doi.org/10.1515/znb-2004-11-1228)
  20. Babizhetskyy V., Mattausch Hj., Simon A. Infinite and finite boron carbon branched chains: the crystal structures of new ternary boride carbides RE10B7C10 and RE4B3C4. Z. Anorg. Allg. Chem. 2009, Vol. 635, P. 737–742. (https://doi.org/10.1002/chin.200926017).
  21. Kuz’ma Yu., Chaban N. Binary and ternary systems containing boron. Metallurgia. Moscow. 1990.
  22. Babizhetskyy V., Kotur B., Levytskyy V., Michor H. Chapter 298: Alloy systems and compounds containing rare earth metals and carbon, in: J.-C.G. Bünzli, V.K. Pecharsky (Eds.), Handbook on the Physics and Chemistry of Rare Earths Including Actinides, Amsterdam: North-Holland, 2017. pp. 1–263. (doi:10.1016/bs.hpcre.2017.09.001)
  23. Rogl P.F., Vrestal J., Tanaka T., Takenouchi S. The B-rich side of the B–C phase diagram. CALPHAD. 2014. Vol. 4. P. 3-12. (doi:10.1016/j.calphad.2013.07.016).
  24. Bauer J., Debuigne J. Sur les borocarbures de dysprosium.. J. C. R. Acad. Sci. (Paris), Sbr. C. 1972. Vol. 274. P. 1271–1274.
  25. Babizhetskyy V., Mattausch Hj., Simon A. Crystal structure of terbium borocarbide Tb2B2C3. Z. Naturforsch. 2008. Vol. 63b. P. 929–933. (doi:10.1515/znb-2008-0802).
  26. Babizhetskyy V., Simon A., Mattausch Hj., Hiebl K., Zheng C. New ternary rare-earth metal boride carbides R15B4C14 (R = Y, Gd–Lu) containing BC2 units: crystal and electronic structures, magnetic properties. J. Solid State Chem. 2010. Vol. 183. P. 2343–2351. (doi:10.1016/j.jssc.2010.07.046)
  27. Babizhetskyy V., Zheng C., Mattausch Hj., Simon A. Ternary rare earth metal boride carbides containing two-dimensional boron-carbon network: The crystal and electronic structure of R2B4C (R – Tb, Dy, Ho, Er). J. Solid State Chem. 2007. Vol. 180. P. 3515–3520. (doi:10.1016/j.jssc.2007.10.014)
  28. Babizhetskyy V., Simon A., Hoch C., et al. Structural, electronic and magnetic properties of layered REB2C compounds (RE = Dy, Tm, Lu). J. Solid State Chem. 2012. Vol. 191. P. 121–128. (doi:10.1016/j.jssc.2012.02.062).
  29. Onoyama K., Kaneko K., Indoh K., Yamauchi H., Tobo A., Onodera H., Yamaguchi Y. Systematic study on crystal structures in tetragonal RB2C2 (R=Rare Earth) compounds. J. Phys. Soc. Jpn. 2001. Vol. 70. P. 3291–3295. (doi:10.1143/jpsj.70.3291).
  30. Smith P.K., Gilles P.W. High temterature rare-earth–boron–carbon studies-III. LnB2C2 and the terary phase diagram. J. Inorg. Nucl. Chem. 1967. Vol. 29. P. 375–382 (https://doi.org/10.1016/0022-1902(67)80040-X).
  31. Rocquefelte X., Boulfelfel S. E., Ben Yahia M., Bauer J., Saillard J-Y., Halet J.-F. Structural preference versus metal within the MB2C2 (M=Mg, Sc, Ca, Y, Ln) phases: The coloring problem revisited by DFT calculations. Angew. Chem. Int. Ed. 2005.Vol. 44, P. 7542–7545. (doi:10.1002/anie.200503080).
  32. Yamauchi H, Osakabe T. High-pressure studies of DyB2C2. J. Korean Phys. Soc. 2013. Vol. 62, P. 2084–2087 (https://doi.org/10.3938/jkps.62.2084).
  33. Ohoyama K., Indoh K, Yamaguchi H. Tobo A., Matsuoka E, Sato M, Katano S, Onodera H. Field-induced magnetic structures in antiferroquadrupolar ordering compound DyB2C2. J. Phys. Soc. Japan 2008. Vol. 77. P. 114703. (doi:10.1143/JPSJ.77.114703)
  34. van Duijn J., Suzuki K., Attfield J. P. Boron–Carbon Order in CeB2C2. Angew. Chem. 2000. Vol. 112. P. 373–374 (https://doi.org/10.1002/(SICI)1521-3757(20000117)112:2<373::AID-ANGE373>3.0.CO;2-J).
  35. Babizhetskyy V., Hoch C., Mattausch Hj., Simon A. Boron–carbon order and symmetry control: single-crystal X-ray study of SmB2C2. Z. Naturforsch. 2006, Vol. 61b, P. 727–732 (doi:10.1515/znb-2006-0612).
  36. Oeckler O., Mattausch Hj., Bauer J., Simon A. Über die Kristallstruktur der Phase La5B2C6. Z. Anorg. Allg. Chem. 2001. Vol. 627. P. 779–788. (doi:10.1002/1521-3749(200104)627:4%3C779::AID-ZAAC779%3E3.0.CO;2-Y)
  37. Oeckler O., Duppel V., Bauer J., Mattausch Hj., Simon A. Twinning and intergrowth of rare earth boride carbides. Acta Cryst. 2002. Vol. B 58. P. 161–167. (doi:10.1107/S0108768101019772).
  38. Köhler J., Babizhetskyy V. New ternary borocarbides in the Dy–B–C system. Proceedings of the 4th International Symposium on Structure - Property Relationships in Solid State Materials, Bordeaux, France, 24-29 June 2012, P. 43.

How to Cite

Babizhetskyy V., Kotur B., Levytskyy V. PHASE EQUILIBRIA AND CRYSTAL STRUCTURE OF THE TERNARY COMPOUNDS IN Dy–B–C SYSTEM AT 1270 K Proc. Shevchenko Sci. Soc. Chem. Sci. 2019 Vol. LVI. P. 45-55.

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