Abstract
The zirconium phosphate fluorides with the general formula [AmH x ] 1/ x [Zr 2(PO 4) 2(HPO 4)F]· nH 2O with Am= N-methylethylenediamine, 1,3-diaminopropane and N, N-dimethylethylenediamine consist of a three-dimensional framework (designated as ZrPOF-1). Channels are made up of eight-membered rings of Zr-octahedra and phosphate tetrahedra running through the framework structure. Water molecules are located in small cavities and also are often located in the channels together with the organic template cation. Single crystal structure investigation of the carefully dehydrated phases shows that during the dehydration process hydrogen bridges are broken and new ones are formed. The loss of water results in a rearrangement of the hydrogen phosphate groups and in a relative shift of compact sheets connected via the HPO 4 tetrahedra in the framework structure. The structural consequences of the dehydration of these three ZrPOF-1 phases were discussed in detail.
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