THE CRYSTAL STRUCTURE OF PR3HG0.1GA1.67SE7 COMPOUND
DOI:
https://doi.org/10.32782/pcsd-2022-3-2Keywords:
rare earth metals, selenides, crystal structure, X-ray powder method, EDAX analysisAbstract
sample of the stoichiometric composition Pr3Hg0.1Ga1.6Se7, weighing 0.8 g, obtained by fusing simple substances in vacuumed (10 -2 Pa) quartz containers at a maximum synthesis temperature of 1100 °C. The crystal structure of selenide Pr3Hg0.1Ga1.6Se7 (a = 1.03539(3) nm, c = 0.63842(3) nm, RI = 0.0963, Rp = 0.2041) was studied by the X-ray powder method. It was established that the structure of the synthesized compound belongs to the structural type La3CuSiS7 (SG P63; SP hP24). The elemental composition of the Pr3Hg0.1Ga1.6Se7 (Pr: 23.12±2.74%; Hg: 0.49±0.14%; Ga: 14.72±0.91%; Se: 61.67±4.53%) selenide was confirmed by EDAX analysis. In the structure, praseodymium atoms are localized in site 6c and, together with selenium atoms, form trigonal prisms with one additional atom [Pr 3Se13Se21Se3]. Atoms of statistical mixtures M (0.088(5) Hg + 0.61(2) Ga), concentrated in site 2a, form octahedra [M 6Se1]. These octahedra are interconnected by faces and form columns in the direction of the c axis. In site 2b, Ga atoms are surrounded by four selenium atoms. The formed tetrahedra are oriented in the direction of the c axis and are isolated from each other. Galliumcontaining selenide Pr3Hg0.1Ga1.6Se7 based on praseodymium are promising chalcogenides based on which materials for nonlinear optics and thermoelectricity can be created.
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