Atomic positions: v-GeO2 models

Model structure of vitreous germania (v-GeO₂): Model I

Number of atoms: 168
Supercell side: 13.8646 Å
Average Ge--O: 1.78 Å
Average Ge--O--Ge: 135

Reference papers:

Luigi Giacomazzi, P. Umari, and Alfredo Pasquarello
Medium-Range Structural Properties of Vitreous Germania Obtained through First-Principles Analysis of Vibrational Spectra.
Physical Review Letters, 95, 075505 (2005).
Luigi Giacomazzi, P. Umari, and Alfredo Pasquarello
Vibrational spectra of vitreous germania from first-principles.
Physical Review B 74, 155208 (2006).

Used for calculations of:

Neutron and x-ray structure factors
Ring statistics
Electronic and vibrational density of states
Neutron vibrational density of states
Dielectric function in the infrared region
Raman spectra (non- resonant)

Atomic positions files (on demand only):
atomic positions (XYZ) (details)
atomic positions (XSF) (details)
atomic positions (bohr) (details)

Model structure of vitreous germania (v-GeO2): Model I

Model structure of vitreous germania (v-GeO₂): Model I