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3.1. Structural and Hirshfeld Surface Analysis The crystal structure was determined by SXRD analysis at room temperature (300 K). Figure 1 a presents the SXRD powder diffraction pattern of CNO, together with the simulated pattern obtained from the Rietveld refinement. The Rietveld refinement results confirm that the sample crystallizes in the triclinic structure with space group P 1̅ (No. 2), in agreement with the ICDD database (entry No. 00-033-0476).

1. Introduction Click to copy section linkSection link copied! The spin-chain magnetic behaviors of these systems combine geometric frustration with intrinsic low dimensionality, giving rise to complex physical phenomena that continue to attract great interest. (1−4) Wolframite-type structures, specifically compounds with the general formula ABO 4 , where A = Fe, Ni and B = Nb, W, (5−7) exhibit characteristics similar to 1D systems, with a zigzag spin-chain distribution.

Metal-doped niobate pyrochlores and double-perovskites for glycerol valorization: Structural and electronic properties and DFT calculations In this study, metal-doped niobates and perovskites were obtained by a solid state reaction. The solids were evaluated in the esterification of glycerol in the presence of acetic acid to produce valuable esters of glycerol.