Modelling the crystal structure of a 30 nm sized particle based hydroxyapatite powder synthesised under the influence of ultrasound irradiation from X-ray powder diffraction data

Hydroxyapatite (HAP) is a biocompatible ceramic that is widely used in a number of biomedical applications and devices. Due the close similarity between nanometer scale forms of HAP and the mineral phase found in the natural bone matrix, recent studies have focused on understanding the structure of HAP for its inclusion in a new generation of novel composites. In this study two commercially available software packages MaterialsStudioand Endeavour®1.7b were used to model the crystal structure of a nanometre scale HAP powder from X-ray powder diffraction data. The nanometre scale HAP used in this study was prepared via a wet precipitation technique under the influence of ultrasonic irradiation. The main reactants in this process were[Ca(NO3)2] and[KH2PO4], while[NH4OH] was used as the precipitator. During the process the calcium phosphate ratio was set at 1.67 and the pH was maintained at 9. The resultant slurries were then thermally treated in radiant tube furnace to produce nanometre scale particles with a mean diameter of 30 nm