Resumo

DELGADO, Gerzon E.  e  QUINTERO, Miguel. Synthesis and structural characterization using the Rietveld method of the quaternary compound CuAlGeSe₄. Rev. mex. fis. [online]. 2022, vol.68, n.2, e020501.  Epub 27-Mar-2023. ISSN 0035-001X.  https://doi.org/10.31349/revmexfis.68.020501.

Sample of the quaternary phase CuAlGeSe4, a part of I-III-IV-⃞-VI4 semiconductor system, was synthesized by the melt and annealing technique and analyzed using X-ray powder diffraction data. The indexing and refinement of the pattern indicate that this compound crystallizes in the tetragonal system, space group $I\stackrel{-}{4}\left(\mathrm{N}\mathrm{}82\right)$ with unit cell parameters: α = 5.5646(3) Å, c = 10.682(2) Å, V = 330.77(5) Å3. The space group was established from a cationic and anionic distribution analysis in the tetragonal space groups: $I\stackrel{-}{4}2\mathrm{d}$ (N◦ 122), $I\stackrel{-}{4}22\mathrm{m}$ (N◦ 121), and $I\stackrel{-}{4}2$ (N◦ 82), for an ordered structure in this material. The Rietveld refinement, performed with the starting model: Cu 2c, Al 2b, Ge 2d, ⃞2a, and Se 8g, converged to R exp = 7.2%, R P = 7.4%, R wp = 9.6%, and χ 2 = 1.7.

Palavras-chave : Chalcogenide; powder X-ray diffraction; crystal structure.

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