Information card for entry 2108451

Structure parameters

• Formula: O2 Zr
• Calculated formula: O2 Zr
• Title of publication: Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations
• Authors of publication: Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• a: 5.14204 ± 0.00019 Å
• b: 5.20869 ± 0.00021 Å
• c: 5.30989 ± 0.00021 Å
• α: 90°
• β: 99.1726 ± 0.0033°
• γ: 90°
• Cell volume: 140.398 ± 0.01 ų
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.11471
• Goodness-of-fit parameter for all reflections: 1.27
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No