Assignment Details You were provided with a synchrotron X-ray powder diffraction data set of cadmium exchanged zeolite-A reacted with cadmium vapour. You were to use the GSAS suite of programmes to derive a structure model for the material.

The presentation of your results will consist of two parts which can be submitted together.

Part 1 This is a short report detailing how you carried out the refinement. It should include the order in which you turned certain parameter on and the effect they had on the refinement. The results of Fourier calculations should be included and a rationale as to which atoms were located and included in the refinement from these calculations. Finally, bond valence sum calculations are to be included together with a final Rietveld plot figure. Part 2

This is to be written as a short journal article describing the structural model obtained. It should include the refinement statistics. It should also include lattice parameters, atomic coordinates, fractional occupancies and thermal parameters all with errors (esd's). You should also include a table of bond distances and angles, again with errors. Figures of the crystal structure can be included to aid your discussion of the nature of the metallic clusters formed in the zeolite cages. Compare your structural model to the literature.

Electronic copies of the .LST file and pubtable output should be submitted electronically through Blackboard.

The word limit is 800 words per report (+/-10%). This excludes footnotes but includes quotations. The word count must be printed on the top right hand corner of your work.

Remember: • You must keep to the word limit of 800 words per report • You must demonstrate that you have met the learning outcomes • As you construct and present your work, consider the assessment criteria Presentation Instructions

It is your responsibility to ensure that your work is neatly and accurately presented. The work must be: • Word-processed • Single sided • 1.5 or double line spaced • Ariel 12 point font • Justified • Page numbered • On A4 paper

• Margins left and right 3cm • Stapled together at the top left-hand corner • Attached to a cover sheet.

Marks may be deducted for failure to follow these instructions. Please look at the Student Guide to Assessment for more information. Referencing

All academic writing must be referenced. If you use other people's ideas without referencing them you are plagiarising their work. Use the Numeric System of referencing within your text. At every point in the text where a reference is made, insert a number (in brackets or superscript) and then list the references numerically at the end of your work.

Plagiarism The use of work produced for another purpose by you, working alone or with others, must be acknowledged. Copying from the works of another person (including Internet sources) constitutes plagiarism, which is an offence within the University's regulations. Brief quotations from the published or unpublished works of another person, suitably attributed, are acceptable. You must always use your own words except when using properly referenced quotations. You are advised when taking notes from books or other sources to make notes in your own words, in a selective and critical way.