X-ray diffractometer in powder XRD setting for structure analysis of polycrystalline and amorphous materials:
- qualitative and semi-quantitative phase analysis, lattice parameter and mean crystallite size determination (ICDD-PDF2 data-base, 2006 release);
- Rietveld structure refinement and quantitative phase analysis, structureless wholepattern fitting according to Le Bail & Pawley (lattice parameters, crystallite size and strain), powder pattern indexing and ab-initio crystal structure determination
Experimental setup:
- Vertical theta-theta goniometer in powder XRD setting; lowest step size (2θ)= 0.0002o; horizontal sample carrier; nine-position multiple stage with automatic sample changer; fixed slit system.
- One-dimensional detector (LynxEye type) with collection rate about two orders of magnitude higher than that of conventional point detectors and very good angular resolution (default setting), or NaI(Tl) scintillation counter.
- Copper target X-ray tube used with nickel Kβ filter or with curved-graphite monochromator (default setting) or molybdenum target tube – if large scattering vector ranges are required
Software:
– DIFFRACplus BASIC – software package for quick qualitative and semi-quantitative phase analyses, lattice parameter and mean crystallite size determinations; ICDD-PDF2 data-base, 2006 release;
– TOPAS 3.0 R/P/ I – software for: Rietveld structure refinement and quantitative phase analysis, structureless whole-pattern fitting according to Le Bail & Pawley (lattice parameters, crystallite size and strain), powder pattern indexing and space group determination and ab-initio crystal structure determination.
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