Quantum-mechanical calculation of the vibrational spectrum of beryl (Al4Be6Si12O36) at the Γ point

Author:

Prencipe Mauro,Noel Yves,Civalleri Bartolomeo,Roetti Carla,Dovesi Roberto

Publisher

Springer Science and Business Media LLC

Subject

Geochemistry and Petrology,General Materials Science

Reference47 articles.

1. Adams DM, Gardner IR (1974) Single-crystal vibrational spectra of beryl and dioptase. J Chem Soc Dalton Trans 1502–1505

2. Aines RD, Rossman GR (1984) The high-temperature behavior of water and carbon dioxide in cordierite and beryl. Am Mineral 69:319–327

3. Artioli G, Rinaldi R, Ståhl K, Zanazzi PF (1993) Structure refinements of beryl by single-crystal neutron and X-ray diffraction. Am Mineral 78:762–768

4. Aurisicchio C, Fioravanti G, Grubessi O, Zanazzi PF (1988) Reappraisal of the crystal chemistry of beryl. Am Mineral 73:826–837

5. Baranek P, Zicovich-Wilson C, Roetti C, Orlando R, Dovesi R (2001) Well localized crystalline orbitals obtained from Bloch functions: the case of KNbO3. Phys Rev B64:125102

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