If you intend to publish data acquired from any of our labs please acknowledge us if possible and let us know - we would like to link to your publication on our website!

Files and other resources that may be helpful to those using our analytical services:

Sample submission

XRD service - all new users of the XRD service must complete a sample submission form and provide a COSHH risk assessment form before any analysis will be undertaken. You are welcome to either email these forms to the XRD lab or deliver them in person.

Electron microscopy - all users of the SEMs should either e-mail or telephone 0191 222 7058 to discuss sample submission.

Internal purchase requisition (IPR) forms

Recommended reading

Crystallography and XRD - texts that provide an introduction to crystallography and the technique of XRD (Word: 22KB)

Electron microscopy - texts that provide an overview of electron microscopy techniques (ESEM, SEM and TEM) and their applications (Word: 14KB)

Information about XRD instrumentation

Specification of the X'Pert Pro MPD (Word 19KB)

Working with XRD data

Analysis and simulation of powder diffraction patterns

The demo versions of the CrystalMaker Software series are free to download and CrystalDiffract 6 allows a user to import raw XRD data (in the form of *.xy files) and compare it to one or more simulated powder diffraction patterns. The free demo version has a limited selection of crystal structures available for simulation although the full licenced version offers choice from an extensive structural library.

Scherrer's Equation - calculating crystallite size using XRD data

Please note that you will need to insert peak measurements from your own XRD data set, which can be obtained using the freeware program X'Pert Data Viewer.

X'Pert Data Viewer can be downloaded onto any University PC. The program exists on an ISS server as a group policy. To get a copy of X'Pert Data Viewer contact your computing officer in the first instance - they are welcome to contact the XRD lab with any issues.

Required peak measurements/characteristics are:

  • peak positions of the most intense peaks for each crystalline phase you wish to characterise
  • the miller index for each of those peaks, and
  • the full-width of each peak (of interest) at half its maximum height (FWHM).

The conversion between degrees and radians is accounted for in the spreadsheet formulae.

Other online resources