Rietveld analysis and crystallography

A powder diffractogram can reveal important information about the crystallographic structure of the phase(s) in the sample. And when no single crystal diffraction data is available, then powder diffraction is the only tool for solving a crystallographic structure.

Recent advances in analysis software have eased the task to derive structure information from the inherently incomplete data of a powder diffractogram. For structure solving, powder diffractograms of the highest possible quality are required.

An advanced PANalytical solution

PANalytical's Empyrean is the preferred instrument for this type of investigation.

The Empyrean allows the use of incident beam monochromators such as:

• A focusing monochromator of the Johansson type (Alpha-1 geometry) for focusing beam geometry
• A hybrid monochromator for parallel-beam geometry

It also allows various methods of sample preparation such as:

• Reflection geometry
• Transmission geometry
• Powder samples in glass capillaries

These investigations can be carried out at non-ambient conditions, when desired or necessary.

In combination with PANalytical’s revolutionary X'Celerator detector, the Empyrean will collect powder diffraction data of a quality only exceeded by synchrotron diffractometers. The software package HighScore Plus for crystallographic analysis, Le Bail and Pawley fits, Rietveld refinements and structure solution is advised for data evaluation.