Crystal structure and powder X-ray diffraction data of the super-paramagnetic compound CuFeInTe3

G. E. Delgado, P. Grima-Gallardo, J. A. Aitken, H. Cabrera, J. Cisterna, A. A. Cárdenas, I. Brito


The crystal structure of the new CuFeInTe3 quaternary compound was studied by the Rietveld method from powder X-ray diffraction data. The CuFeInTe3 compound crystallize in the tetragonal CuFeInSe3-type structure with space group P2c (Nº 112), and unit cell parameters a = 6.1842(1) Å, c = 12.4163(2) Å, V = 474.85(1) Å3. The density of CuFeInTe3 is rx = 5.753 g cm−3. The reliability factors of the Rietveld refinement results are Rp= 5.5%, Rwp= 6.1%, Rexp= 4.7%, and S= 1.3. The powder XRD data of CuFeInTe3 are presented and the figures of merit of indexation are M20 = 79.4 and F30 = 43.3 (0.0045, 154).


crystal structure, powder X-ray diffraction data, Rietveld, chalcogenide, semiconductor, alloys

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