X-ray Diffraction: General Purpose
- Principal application is phase analysis of polycrystalline powder
- Normal operating power: 45 kV, 40 mA
- Bragg-Brentano divergent beam geometry
Note: The links below leave this site.
- American Mineralogist Crystal Structure Database
- Anton Paar
- Collaborative Computational Project Number 14 (CCP14) for Single Crystal and Powder Diffraction
- International Centre for Diffraction Data
- International Union of Crystallography
- Materials Data Inc.
- Mineralogy Database
System Configurations and Operational Overview
All work involving the following systems and any experiments conducted in EMSL laboratories must be performed in compliance with EMSL practices and permits.
The general purpose X-ray diffractometer is a PANalytical X'Pert MPD system with a vertical Θ-Θ goniometer (190-mm radius). The X-ray source is a long-fine-focus, ceramic X-ray tube with Cu anode. Normal operating power is 40 kV, 50 mA (2.0 kW). The system optics consist of programmable divergence, anti-scatter, and receiving slits; incident and diffracted beam soller slits; a curved, graphite-diffracted beam monochromator; and a proportional counter detector (Bragg-Brentano parafocusing geometry). The principal application of this system is phase analysis of polycrystalline samples. The multi-purpose sample stage supports typical cavity-type powder mounts and will accommodate diverse monolithic specimens in a variety of sizes and shapes.
The principal XRD data analysis program is JADE (Materials Data Inc., Livermore, California). JADE supports comprehensive analysis of XRD patterns, including phase identification, peak profile fitting, indexing, unit cell refinement, Rietveld analysis, etc. Available software for thin film applications includes the Bede programs RADS and REFS, plus the PANalytical programs X'Pert Texture, X'Pert Epitaxy, and WINGIXA.
The principal reference database is the Powder Diffraction File (International Centre for Diffraction Data, Newtown Square, Pennsylvania).
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