Information card for entry 2300255

Structure parameters

• Formula: D10 O5
• Calculated formula: D10 O5
• SMILES: O([2H])[2H]
• Title of publication: Phase behaviour and thermoelastic properties of perdeuterated ammonia hydrate and ice polymorphs from 0 to 2GPa
• Authors of publication: Fortes, A. D.; Wood, I. G.; Vočadlo, L.; Knight, K. S.; Marshall, W. G.; Tucker, M. G.; Fernandez-Alonso, F.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 846 - 866
• a: 6.186 ± 0.0008 Å
• b: 6.186 Å
• c: 5.7157 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 218.72 ± 0.07 ų
• Number of distinct elements: 2
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No