PREPARATION AND X-RAY-POWDER STRUCTURE SOLUTION OF A NOVEL ALUMINUM PHOSPHATE MOLECULAR-SIEVE, (ALPO4)3.(CH3)4NOH
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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) . 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.
JOURNAL OF PHYSICAL CHEMISTRY
author list (cited authors)
RUDOLF, P. R., SALDARRIAGAMOLINA, C., & CLEARFIELD, A.
complete list of authors
RUDOLF, PR||SALDARRIAGAMOLINA, C||CLEARFIELD, A