Information card for entry 1567273

Structure parameters

• Common name: ice XIII
• Formula: D2 O
• Calculated formula: D2 O
• Title of publication: Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition
• Authors of publication: Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.
• Journal of publication: The Journal of Chemical Physics
• Year of publication: 2021
• Journal volume: 154
• Pages of publication: 134504
• a: 9.24033 ± 0.00013 Å
• b: 7.46235 ± 0.00011 Å
• c: 10.29166 ± 0.00013 Å
• α: 90°
• β: 109.768 ± 0.001°
• γ: 90°
• Cell volume: 667.839 ± 0.017 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