Abstract:
The structural morphology of sodium oxalate is constructed based on results of a first-principles application of the Hartman-Perdok theory and energy computations of electrostatic and Van der Waals forces. Sodium oxalate crystals grown from aqueous solutions are characterized by twinning; industrially grown crystals are needle-shaped, The theoretical (vacuum) morphology is richer than the experimentally obtained morphology. These morphologies are compared.