Information card for entry 2300247

Structure parameters

• Formula: D
• Calculated formula: D
• SMILES: [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: 7.78366 ± 0.00009 Å
• b: 6.72568 ± 0.00007 Å
• c: 6.07443 ± 0.00008 Å
• α: 90°
• β: 102.104 ± 0.001°
• γ: 90°
• Cell volume: 310.929 ± 0.006 ų
• Number of distinct elements: 1
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Method of determination: powder diffraction
• Has coordinates: No
• Has disorder: No
• Has Fobs: No