Information card for entry 2106431

Structure parameters

• Formula: O2
• Calculated formula: O2
• SMILES: O=O
• Title of publication: Structure of O2 at 5*5 GPa and 299 K
• Authors of publication: Schiferl, D.; Cromer, D.T.; Mills, R.L.
• Journal of publication: Acta Crystallographica B (24,1968-38,1982)
• Year of publication: 1981
• Journal volume: 37
• Pages of publication: 1329 - 1332
• a: 2.8467 Å
• b: 2.8467 Å
• c: 10.2249 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 71.758 ų
• Number of distinct elements: 1
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No