Disorder in Tris(2-methyl-1,2-propanediammonium) cyclo-Hexaphosphate Trihydrate

Tetragonal channels, built up by four rows of P₆O₁₈ rings and completed by organic groups, are found to be parallel to the a direction of the unit-cell of [C₄H₁₄N₂]₃P₆O₁₈.3H₂O. Condensed phosphoric groups are centrosymmetric. The three independent organic cations have no internal symmetry. One of them has a disordered NH₃ group and is in two alternative forms [0.63 form A and 0.37 form B]. Among the three water molecules of the unit formula, one is disordered [OW3 site A 0.60, site B 0.40], the other two OW2 and OW4 are in two equally positions of 0.5 occupancy.

-1