Solid solution quantification from full powder X-ray diffraction profile: novel application of multivariate calibration.

ABSTRACT: Non-stochiometric crystals, such as solid solutions, represent a valid strategy for fine-tuning the properties of materials from inorganic pigments to active pharma-ceutical ingredients. The change is achieved by substitution of structurally similar compounds within the crystal structure, resulting in a minor variation of cell parameters, and it can be experimentally observed as a shift of the X-ray diffraction profile, with the shift depending on the substitutional amount. After proper alignment of the diffraction data, chemometric methods can detect the evolution of the solid solution profile and correlate it to the molar composition, creating rapid quantitative models. The solid solutions chosen for this work are NA₂·FA _x SA_1-x and IN₂

SUBMITTER: Macchietti L 

PROVIDER: S-EPMC12502876 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature