Information card for entry 2300253

Structure parameters

• Formula: D
• Calculated formula: D
• 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: 12.5626 ± 0.0011 Å
• b: 6.6513 ± 0.0003 Å
• c: 6.3788 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 533 ± 0.06 ų
• Number of distinct elements: 1
• Space group number: 52
• Hermann-Mauguin space group symbol: P n c n
• Hall space group symbol: -P 2ab 2n
• Method of determination: powder diffraction
• Has coordinates: No
• Has disorder: No
• Has Fobs: No