Information card for entry 1566647

Structure parameters

• Chemical name: ice XIII
• Formula: D2 O
• Calculated formula: D1.92714 O
• Title of publication: The preparation and structures of hydrogen ordered phases of ice
• Authors of publication: Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.
• Journal of publication: Science
• Year of publication: 2006
• Journal volume: 311
• Pages of publication: 1758
• a: 9.2417 ± 0.0001 Å
• b: 7.4724 ± 0.0001 Å
• c: 10.297 ± 0.0001 Å
• α: 90°
• β: 109.687 ± 0.0009°
• γ: 90°
• Cell volume: 669.521 ± 0.014 ų
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No