Dear all,

As a newbie in FullProf (and also in crystallography) I'm being confused with the parameter "Occupation number" (Occ).

In fact, as indicated in the FullProf Manual:

/"Occupation number i.e. chemical occupancy × site multiplicity (can be normalised to the multiplicity of the general position of the group)."/

What is the meaning of this "Occupation number" and difference between "Occupation number" and SOF ?

Could anyone help me to explain how to find the value of chemical occupancy, site multiplicity ? And how can the Occupation number be "/normalised to the multiplicity of the general position of the group/" ?

I have tried to calculate for Mg2Sn (Fm3m), with Mg at the site 8c and Sn at 4a, then Occupation number of Mg is 8/192 and that of Sn is 4/192. Is this right ?

Thanks in advance for your any help.

Huy LE-QUOC,
LPSC/CRPMN - CNRS
53 rue des Martyrs, Grenoble 38026, FRANCE


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