This article presents the method of particle formation by dividing a bulk to fine particles. The quantum-chemical level simulation was performed to study step-bystep the conversion process from small parts of a crystal body to small sized silica particles. Vibrational spectroscopy (infrared and inelastic neutron scattering) was used to verify simulated structures. © 2008 VCH Verlagsgesellschaft mbH. All rights reserved..