Information card for entry 2103768

Structure parameters

• Chemical name: deuterated barium hydroxide
• Formula: Ba D2 O2
• Calculated formula: Ba D2 O2
• Title of publication: Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase
• Authors of publication: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 747 - 758
• a: 9.35611 ± 0.00015 Å
• b: 7.86963 ± 0.00012 Å
• c: 6.75469 ± 0.0001 Å
• α: 90°
• β: 95.6564 ± 0.0009°
• γ: 90°
• Cell volume: 494.92 ± 0.013 ų
• Cell temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 1.34
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.59432 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No