Information card for entry 2300251

Structure parameters

• Formula: D2 O
• Calculated formula: D2 O
• 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: 6.6748 ± 0.0003 Å
• b: 6.67484 Å
• c: 6.6838 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 297.78 ± 0.03 ų
• Number of distinct elements: 2
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No