Information card for entry 4105041

Structure parameters

• Common name: ammonia monohydrate
• Formula: D5 N O
• Calculated formula: D5 N O
• Title of publication: Crystal Structure of Ammonia Monohydrate Phase II
• Authors of publication: Fortes, A. Dominic; Suard, Emmanuelle; Lemée-Cailleau, Marie-Hélène; Pickard, Christopher J.; Needs, Richard J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 37
• Pages of publication: 13508 - 13515
• a: 18.8285 ± 0.0004 Å
• b: 6.94145 ± 0.00016 Å
• c: 6.84492 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 894.61 ± 0.03 ų
• Cell temperature: 180 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes