(AlPO4)3.cntdot.(CH3)4NOH Preparation and x-ray powder structure solution of a novel aluminum phosphate molecular sieve

In this paper we report the X-ray Rietveld refined structure of a novel molecular sieve aluminum phosphate (AlPO4)3·(C-H3)4NOH, designated AlPO4-12-TAMU. The space group is P21212, orthorhombic, with a = 10.3325 (1), b = 14.6405 (2), and c = 9.5112 (1) Å. Although this is a new molecular sieve, of more importance is the fact that the structure was solved from first principles by decomposition of the X-ray powder pattern and use of a minimal data set to locate part of the framework by direct methods. The remaining atoms were located via difference Fourier techniques. The structure consists of 4-, 6-, and 8-rings in a new arrangement but with previously predicted features. This result highlights the undeveloped potential of X-ray powder methods for structure determination and illustrates that relatively large, complicated structures can be solved from small data sets. © 1986 American Chemical Society.

Preparation and x-ray powder structure solution of a novel aluminum phosphate molecular sieve, (AlPO4)3.cntdot.(CH3)4NOH Academic Article