Sodium carbonate revisited

Abstract

We present the structure of anhydrous sodium carbonate at room temperature (phase gamma) and 110 K (phase delta) based on single-crystal X-ray diffraction data. The incommensurate phase gamma was determined almost 30 years ago in the harmonic approximation using one modulation wave and first-order satellites. In our work we use satellites up to fifth order and additional harmonic waves to model the anharmonic features of the structure. The commensurate phase delta is presented for the first time. Using the superspace approach, both phases are compared in order to find common trends in the whole range of the sodium carbonate phases. We present arguments supporting the hypothesis that the driving force of the phase transitions may originate in the unsaturated bonding potential of one of the Na ions.