Biovia materials studio 2020

XRPD pattern measurements were performed using a RINT 2000 X-Ray Diffractometer (Rigaku Co., Tokyo, Japan), with a Cu Kα radiation source and a Ni filter as the X-ray source, at a voltage of 40 kV and a current of 40 mA. The X-ray irradiation followed the parallel-beam method in the 2θ range from 5° to 40°, with a scanning velocity of 0.02 steps. The presented spectra are the average of five scans, and the scanning was conducted in triplicate or more replicates. The INM crystals were crushed in an agate mortar using a pestle, and the resulting powders were mixed. Mixtures of α- and γ-form crystals with various molar ratios were prepared using a metal needle, without applying any pressure. The samples were prepared immediately before use. To identify the polymorphs, the diffractograms of the INM single-crystal structures were compared with published diffractograms. The reproduced diffractogram was calculated from the 3D crystalline structure published in the Reflex Module of Powder Diffraction in BIOVIA Materials Studio 2020 (Dassault Systems). The 3D crystalline structures of the γ-form (reference code: INDMET) and α-form (reference code: INDMET04) were retrieved from the Cambridge Crystallographic Data Centre (CCDC).