Crystal structure and spectroscopic studies of [2,6-(C2H5)2C6H3NH3]2H3P3O10

Crystal growth of a new organic cation trihydrogeno-triphosphate, [2,6-(C2H5)(2) C6H3NH3](2) H3P3O10, is given. This material was prepared at r. t. conditions by the reaction of organic amine and triphosphoric acid. The obtained compound is monoclinic P2(1)/c with the following unit-cell parameters: a = 14.006( 2), b = 10.042( 2), c = 19.207(9) angstrom, beta = 97.86(3)degrees, Z = 4, and V = 2676(1) angstrom(3). Determination, by X-ray diffraction, and refinement to R = 0.044 and R-w = 0.057, of its crystal structure, show that the three dimensional network is built up of inorganic layers between which the organic cations are stacked. The cohesion is assured by different interaction types. Solid-state C-13 and P-31 MAS NMR spectroscopies are in agreement with the X-ray structure.