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. 2024 Nov 8;57:111099. doi: 10.1016/j.dib.2024.111099

Table 10.

Main parameters about the XRD acquisitions.

Instrument Philips X'Pert Pro Diffractometer (Almelo, The Netherlands) working with parafocusing Bragg Brentano geometry
X-ray tube Long Fine Focus, Co source, 40 kV and 40 mA generator settings
Detector Real-Time Multiple Strip (RTMS) X'Celerator
Sample holder Circular, 27 mm diameter and 2 mm thick. Back-loading filling
Accessories Bragg-BrentanoHD ©, spinner for sample revolution on vertical axis
Slits Divergence slits 1/4°, antiscatter slits 1°, Soller silits 0.04 rad
Data acquisition 3–85° 2theta, continous scan lasting 1 h (100 s for 0.017° 2theta virtual steps).
Micronization procedure 5 min grinding using ethanol at 1500 rpm/min. Instrument: Retsch XRD-MILL MCCRONE.
Dry grinding procedure 3 min dry grinding at 20 Hz frequency. Instrument: Retsch MM 400
Qualitative phase analysis HighScore (Plus) software version 4.9, year 2020,
by PANalytical B.V., Almelo, The Netherlands [13]
Quantitative phase analysis Profex-BGMN v.5.2.3 [14]