Locating the sites of adsorbed species in heterogeneous catalysts: a rietveld neutron powder profile study of xenon in zeolite-rho

As well as yielding the atomic structure of the aluminosilicate host, neutron diffraction reveals the preferential location of adsorbed Xe to be at the central site in the octagonal prism in D+-rho zeolite, both at 5 and at 210 K: ‘atom–atom’ calculations also show this to be the preferred site.