Crystal structure of the Sc2PbX4 (X = S and Se) compounds

The crystal structure of the Sc2PbX4 (X = S and Se) compounds (space group Pnma, Pearson symbol oP28) were determined by means of X-ray single crystal diffraction (a = 1.1642(4) nm, b = 0.3757(1) nm, c = 1.3711(4) nm, R1 = 0.0420 (Sc2PbS4)) and X-ray powder diffraction (a = 1.22029(5) nm, b = 0.39061(2) nm, c = 1.42801(6) nm, RBragg = 0.0954 (Sc2PbSe4)). Both compounds crystallize in the CaFe2O4 structure type. The Sc-centered octahedra and Pb-centered trigonal prisms with two additional atoms form columns along the Y-axis in the structure of the Sc2PbX4 (X = S and Se) compounds.