Information card for entry 1008748

Structure parameters

• Chemical name: Dideuterium oxide
• Mineral name: Ice Ih deuterated
• Formula: D2 O
• Calculated formula: D2 H2 O
• SMILES: [2H]O[2H]
• Title of publication: A Single-Crystal Neutron Diffraction Study of Heavy Ice
• Authors of publication: Peterson, S W; Levy, H A
• Journal of publication: Acta Crystallographica (1,1948-23,1967)
• Year of publication: 1957
• Journal volume: 10
• Pages of publication: 70 - 76
• a: 4.513 Å
• b: 4.513 Å
• c: 7.355 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 129.7 ų
• Number of distinct elements: 2
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.063
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No