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Phase pure AlP O4 with the AlP O4-18(AEI) structure was synthesised using N,N- diisopropylethylamine as a template. Using a combination of X-ray powder diffraction and computational methods, the location and orientation of the N,N-diisopropylethylamine molecules inside the cages of the AEI structure were determined. Thermogravimetric analysis confirmed that the number of template molecules per unit cell was consistent with the diffraction study. We unequivocally show that only one template molecule is present in each cage of the crystalline AEI material. Our work demonstrates that a combined approach enables accurate structure resolution of such complex materials.
Phase pure AlP O4 with the AlP O4-18 (AEI) structure was synthesized using N, N- diisopropylethylamine as a template. Using a combination of X-ray powder diffraction and computational methods, the location and orientation of the N, N-diisopropylethylamine molecules inside the cages of the AEI structure were determined. The thermogravimetric analysis confirmed that the number of template molecules per unit cell was consistent with the diffraction study. We unequivocally show that only one template molecule is present in each cage of the crystalline AEI material. work demonstrates that a combined approach enables accurate structure resolution of such complex materials.