Information card for entry 4124117

Structure parameters

• Chemical name: Si O2
• Formula: O2.33333 Si
• Calculated formula: O2.33333 Si
• Title of publication: Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations
• Authors of publication: Zicovich-Wilson, C.M.; Durand-Niconoff, J.S.; San-Roman, M.L.; Camblor, M.A.; Pascale, F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11512 - 11523
• a: 9.115429 Å
• b: 9.115429 Å
• c: 8.8639 Å
• α: 81.3651°
• β: 98.6349°
• γ: 69.0757°
• Cell volume: 663.38 ų
• Number of distinct elements: 2
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No