THE CRYSTAL STRUCTURE OF STABILIZED BY GALLIUM LAVES PHASE Zr1-xGaxRu2 (x = 0.18)

V. Babizhetskyy, O. Myakush, B. Shatalov, B. Kotur


DOI: http://dx.doi.org/10.30970/vch.6601.024

Abstract


The new ternary phase Zr1-xGaxRu2 (x = 0.18) was synthesized by arc melting the components followed by annealing at 870 K for 1400 h. Its crystal structure was studied by the X-ray diffraction (full-profile Rietveld mode) and energy-dispersive X-ray spectroscopy of the Zr36Ru58Ga6 sample: structure type MgZn2, space group P63/mmc, a = 5.1399(1), c = 8.4888(2) Å. Gallium atoms replace larger zirconium atoms in the 4f position, forming a statistical mixture of composition M = 0.82Zr + 0.18 Ga. Ruthenium atoms occupy positions 2a and 6h in the structure. Ru–Ru distances with the values from 2.533 to 2.605 Å are intermediate between the sum of covalent (2x1.25 = 2.50 Å) and metallic (2x1.325 = 2.65 Å) radii of ruthenium atoms. M–Ru distances in the structure are larger than the sum of the metallic radii of zirconium and ruthenium (1.60 + 1.325 = 2.925 Å). Probably, a slight gallium doping (6 at. %) of the HT binary compound ZrRu2 with the MgZn2-type structure (existence temperature interval 2098–1558 K) leads to its stabilization at lower temperatures with the formation of the Zr1-xGaxRu2 (x = 0.18) phase. The limits of the neighbor RuGa1-xZrx solid solution were refined: CsCl-type structure, space group Pm-3m, 0 ≤ x ≤ 0.50; a = 3.0101(1) – 3.2264(2) Å.

Keywords: intermetallic compounds, crystal structure, ternary system, phase equilibria. 


References


Raub Ch. J. Superconductivity of the platinum metals and their alloys // Mater. Res. 1984. Vol. 5, Iss. 3. P. 129–136. DOI: https://doi.org/10.1016/0261-3069(84)90081-5

Matthias B. T., Kompton V. B., Corenzwit E. Some new superconducting compounds // J. Phys. Chem. Solids. 1961. Vol. 19. P. 130–133. DOI: https://doi.org/10.1016/0022-3697(61)90066-X

Antonov V. E., Bokhenkov E. L., Latynin A. I., Rashupkin V.I., Dorner B., Baier M., Wagner F. E. Crystal structure and superconductivity of high pressure hydrides and deuterides of HfRu and ZrRu compounds // J. Alloys Compd. 1994. Vol. 209. P. 291–297. DOI: https://doi.org/10.1016/0925-8388(94)91116-9

Quan Yu., Hirschfeld P. J., Hennig R. G. First-principles study of superconductivity in α and β gallium // Phys. Rev. B. 2021. Vol. 104.075117. DOI: 10.1103/PhysRevB.104.075117

Myakush O., Fedorchuk A., Mokra I., Myakush O. Crystal structure of compound ZrRuxGa2-x (0,60 < x < 0,96) // Visnyk Lviv Univ. Ser. Chem. 2006. Iss. 47. P. 36–40 (in Ukrainian).

Myakush O. Ya., Mokra I., Fedorchuk A., Myakush O. R. Crystal structure of compound Zr6(M,Ga)23 // Visnyk Lviv Univ. Ser. Chem. 2007. Iss. 48. P. 67–71 (in Ukrainian).

Markiv V. Ya., Storozhenko A. I. New ternary compounds with the Mg6Cu16Si7 type structure in some systems of two transition metals with aluminium and gallium // Dopov. AN Ukr. RSR. Ser. A. 1973. No. 10. P. 941–943 (in Ukrainian).

Myakush O., Babizhetskyy V., Shatalov B., Kotur B. Phases with the structure of CsCl in the system Zr–Ru–Ga // Proc. III Internat. Sci. Confer. “Actual problems of chemistry, material science and ecology”. Lutsk, Ukraine, 1–3 June, 2023. P. 99–101 (in Ukrainian).

Holleman A. F., Wiberg E., Wiberg N. Lehrbuch der anorganishen Chemie. Walterde Gruyter: Berlin−New York, 1995. P. 1838–1840.

Raub E., Röschel E. Die Legierungen des Rutheniums mit Titan und Zirkonium // Int. J. Mater. Res. 1963. Vol. 54, No. 8. P. 455–462. DOI: https://doi.org/10.1515/ijmr-1963-540805

Okamoto H. Desk Handbook: Phase diagrams for Binary Alloys. Materials Park, OH: American Society for Metals. 2000. 828 p.

Akselrud L., Grin Yu. WinCSD: software package for crystallographic calculations (Version 4) // J. Appl. Cryst. 2014. Vol. 47. 803–805. DOI: https://doi.org/10.1107/S1600576714001058

Rodriguez-Carvajal J. FULLPROF – a program for Rietveld, profile matching and integrated intensities refinement of X-ray and/or neutron data, Laboratoire Léon Brillouin: CEA-Saclay. France, 2000.

Villars P., Calvert L. D. Crystalographic Data for Intermetallic Phases. Ohio: ASM. Metals Park, 1991. Vol. 1−4. 5366 p.

Stein F., Palm M., Sauthoff G. Structure and stability of Laves phases. Part I. Critical assessment of factors controlling Laves phase stability // Intermetallics. 2004. Vol. 12. P. 713–720. DOI: https://doi.org/10.1016/j.intermet.2004.02.010

Stein F., Palm M., Sauthoff G. Structure and stability of Laves phases part II. Structure type variations in binary and ternary systems // Intermetallics. 2005. Vol. 13. P. 1056–1074. DOI: https://doi.org/10.1016/j.intermet.2004.11.001

Ormeci A., Simon A., Grin Yu. Structural topology and chemical bonding in Laves phases // Angew. Chem. Int. Ed. 2010. Vol. 4. P. 8997–9001. DOI: https://doi.org/10.1002/anie.201001534

Kotur B. Ya., Gratz E. Scandium alloy systems and intermetallics. In: Handbook on the Physics and Chemistry of the Rare Earths. Eds. K. A. Gschneidner, Jr. and L.-R. Eyring. Vol. 27, Ch. 175. 1999. Amsterdam: Elsevier Science B. V. P. 339–533. DOI: https://www.sciencedirect.com/science/article/pii/S0168127399270067

Babizhetskyy V., Мyakush O., Kоtur B., Simon A. X-ray investigation of the Y–Zr–Ni system at 870 K // Intermetallics. 2013. Vol. 38. P. 44–48. DOI: https://doi.org/10.1016/j.intermet.2013.02.017

Babizhetskyy V., Myakush O., Levytskyy V., Köhler J., Simon A., Michor H., Kotur B. Homogeneity ranges and physical properties of ternary Laves phases RxZr1-xNi2 R = Gd–Lu) // J. Alloys Compd. 2016. Vol. 661. P. 490–494. DOI: https://doi.org/10.1016/j.jallcom.2015.11.136

Latroche M., Paul–Boncour V., Percheron–Guégan A., Achard J. C. Deviations from the C15 type structure in RNi2 compounds (R–Y, Ce) // Europ. J. Solid State Inorg. Chem. 1991. Vol. 28. P. 597–600.

Deutz A. F., Helmholdt R. B., Moleman A. C., de Mooij D. B., K. H. J. Buschow. Superstructure in the intermetallic compound TmNi2 // J. Less–Common Met. 1989. Vol. 153. P. 259–266. DOI: https://doi.org/10.1016/0022-5088(89)90120-3

Kotur B., Myakush O., Michor H., Bauer E. Influence of doping elements (Y and Fe) on crystal structure and electrical resistivity of the RNi2 (R=Gd, Er) compounds // J. Alloys Compd. 2010. Vol. 499. P. 135–139. DOI: https://doi.org/10.1016/j.jallcom.2010.03.187

Myakush O., Babizhetskyy V., Myronenko P., Michor H., Bauer E., Kotur B. Influence of doping elements (Cu and Fe) on the crystal structure and electrical resistivity of YNi3 and Y0.95Ni2 // Chem. Met. Alloys. 2011. Vol. 4. P. 152–159.

Myakush O., Fedorchuk A. Crystal structure and electrical properties of compound HoRuGa // Visnyk Lviv Univ. Ser. Chem. 2004. Iss. 44. P. 62–66 (in Ukrainian).

Patent (Ukraine) No. 17714 А. Resistive alloy on base of gallium / Fedorchuk A. O., Myakush O. R. (Ivan Franko State University of Lviv, Ukraine). No 95073216. Stated 10.07.95; publ. 20.05.97.


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