PROCEEDINGS OF THE SHEVCHENKO SCIENTIFIC SOCIETY

Chemical Sciences

Archive / Том LVI 2019

Myroslava HORIACHA1,2, Galyna NYCHYPORUK1, Reiner PÖTTGEN2, Vasyl ZAREMBA1

1Ivan Franko National University of Lviv Kyryla and Mefodia Str. 6, 79005 Lviv, Ukraine
2Institut für Anorganische Chemie, Universität Münster, Corrensstraße 30, D-48149, Münster, Germany

DOI: https://doi.org/10.37827/ntsh.chem.2019.56.122

THE CRYSTAL STRUCTURES OF THE PHASES IN THE GdCuIn1-XAlX

Single crystals of the two ternary GdCuAl and GdCu3.26Al1.74 and quaternary GdCuIn0.72Al0.28 compounds were grown by heating/cooling procedure of arc-melted alloys in sealed Ta container in high frequency furnace using special thermal mode. The crystal structures were investigated by single crystal X-ray analysis (Stoe IPDS II diffractometer, MoKα-radiation). The refined compositions are confirmed by the results of the EDX analysis (Zeiss EVO MA10 scanning electron microscope). The structures were solved and refined using JANA2006 package. GdCuAl and GdCuIn0.28 compounds crystallized in ZrNiAl-type structure, space group P-62m, Pearson symbol hP9: a = 0.70537(4), c = 0.40616(2) nm, R1 = 0.0130, 319 F2 values, 15 variables for GdCuAl; and a = 0.73755(7), c = 0.39887(3) nm, R1 = 0.0111, 303 F2 values, 15 variables for GdCuIn0.72Al0.28. All positions of the atoms in the refined structure are completely occupied, including the statistical mixture of aluminium and indium in 3g Wyckoff position in the GdCuIn0.72Al0.28 compound. The replacement of Aluminium atoms with Indium atoms in the structure of GdCuIn0.72Al0.28 is characterized by a change in the coordinates of the atoms along the directions X and Y, that corresponding to the a and b parameters of the unit cell. In the compounds GdCuAl and GdCuIn0.72Al0.28, that belong to the ZrNiAl-type structure increasing of the unit cell dimensions a and the volume V and slightly decreasing of the parameter c are observed, accordingly. This result well corresponding with the results of the study interaction between the components in the GdCuIn1-xAlx system. The crystal structure of the GdCu3.26Al1.74 compound belongs to the CaCu5-type structure (space group P6/mmm, Pearson symbol hP6, a = 0.51527(6); c = 0.41606(2) nm, R1 = 0.0095, 112 F2 values, 10 variables). The statistical mixture of aluminium and copper atoms are occupied 3g Wyckoff position in the GdCu3.26Al1.74 compound. The formation single crystals of the phase that belong to CaCu5-type structure, is correspond with the results of the study interaction between the components in the Gd–Cu–Al system.

Keywords: Aluminium, Indium, single crystal, crystal structure.

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How to Cite

Horiacha M., Nychyporuk G., Pöttgen R., Zaremba V. THE CRYSTAL STRUCTURES OF THE PHASES IN THE GdCuIn1-XAlX Proc. Shevchenko Sci. Soc. Chem. Sci. 2019 Vol. LVI. P. 122-129.

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