Information card for entry 1567272

Structure parameters

• Common name: ice V
• Formula: D2 O
• Calculated formula: D2.01029 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: 9.19256 ± 0.0001 Å
• b: 7.52147 ± 0.00011 Å
• c: 10.31017 ± 0.00011 Å
• α: 90°
• β: 109.317 ± 0.0009°
• γ: 90°
• Cell volume: 672.728 ± 0.015 ų
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No