Structural distortion and disorder in pseudo-trigonal noncentrosymmetric K4Ce (CO3)3O.2H2O

A new zeolitic zinc phosphate, [C8N5H28][Zn5(PO4)5].H2O, I, has been synthesized hydrothermally in the presence of tetraethylenepentamine (TEPA). The structure consists of vertex linking ZnO4 and PO4 tetrahedral units forming channels bound by eight T-atoms (T=Zn, P). The structure is identical to the naturally occurring aluminosilicate mineral, thomsonite. Crystal data, [NH3(CH2)2NH2(CH2)2NH2(CH2) 2NH2(CH2)2NH3][Zn5(PO4)5]H2O (I), M=1035.86, monoclinic, space group=C2/c (no. 15), a=14.0189(3), b=13.4792(4), c=14.2787(5) ?, (beta)=90.466(2)°, V=2698.06(14) ?3, Z=8, (rho)calc=2.461g cm-3, µ(Mo K(alpha))=4.782mm-1, R1=0.0622, wR2=0.1388, [1509 observed reflections with I> 2(sigma)(I)].