The triple pyrophosphate Cs3CaFe(P2O7)2

Acta Crystallogr C. 2010 Apr;66(Pt 4):i39-41. doi: 10.1107/S0108270110007195. Epub 2010 Mar 6.

Abstract

The complex phosphate tricaesium calcium iron bis(diphosphate), Cs(3)CaFe(P(2)O(7))(2), has been prepared by the flux method. Isolated [FeO(5)] and [CaO(6)] polyhedra are linked by two types of P(2)O(7) groups into a three-dimensional framework. The latter is penetrated by hexagonal channels along the a axis where three Cs atoms are located. Calculations of caesium Voronoi-Dirichlet polyhedra give coordination schemes for the three Cs atoms as [8 + 3], [9 + 1] and [9 + 4]. The structure includes features of both two- and three-dimensional frameworks of caesium double pyrophosphates.