Solving the Structure of a Metal‐Substituted Aluminum Phosphate Catalyst by Electron Microscopy, Computer Simulation, and X‐ray Powder Diffraction

Abstract

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Open-Framework Cadmium Oxalates with Channels Stabilized by Alkali Metal Ions

“…Glacial acetic acid in the reaction mixture probably controls the pH during the reaction. Such pH control by the acetate anions has been e!ected in many metal substituted aluminum phosphates (MeAlPOs) (21). It is to be noted that both I and II have similar linkages involving Cd and oxalate units, but the connectivity between Cd and oxalate units create distinct di!erences between the two structures.…”

Prediction of Crystal Structures Using Evolutionary Algorithms and Related Techniques

“…In the quenching (second) stage, the lattice energy is used as the measure of quality. It seems reasonable that this stage is still appropriate for microporous or mesoporous materials as, for example, the refinement of MeALPO-36 by minimising the lattice energy has already proved useful in solving framework materials [82]. However, in the search for a candidate structure that when quenched will relax to the desired framework, the lattice energy may favour clusters of closest-packed ions within the unit cells as the framework structures are metastable (and the closest-packed form is often the stable polymorph).…”

The architecture of Mg(II) centres in MAPO-36 solid acid catalysts

“…Monophasic MgAPO-36 was prepared using the procedure described in Wright et al (1992). MgAl 2 O 4 was prepared using the standard nitrate decomposition route, and MgO was obtained from Aldrich.…”