The Cuprammine exchanged NaX zeolite (M = 17846, cubic, space group Fd[unk]m, a = 24,915(1) Å, V = 15466 Å3) is investigated for site occupancy by the cuprammonium ions. Intensity data are resolved into component hkl contributions by treating the known framework sites as conventional heavy atoms. Difference Fourier and least square methods were used to reveal and refine the intersticial Cu, Na, NH3 and water in hydrated samples. Final R = 0,09 for 75 F and σ-criterion for the refinement F 〉 3σ(F) were used.
It is found that 25% of the cuprammine species are located in I′(U) site [xxx with x = 0,100(2)], origin at centre ([unk]m) which is close to the centre of the sodalite cage while the rest is labile in the supercages.
Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.