Information card for entry 9007485

Structure parameters

• Mineral name: Baddeleyite
• Formula: O2 Zr
• Calculated formula: O2 Zr
• SMILES: [Zr+4].[O-2].[O-2]
• Title of publication: The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2
• Authors of publication: Smith, D. K.; Newkirk, H. W.
• Journal of publication: Acta Crystallographica
• Year of publication: 1965
• Journal volume: 18
• Pages of publication: 983 - 991
• a: 5.145 Å
• b: 5.2075 Å
• c: 5.3107 Å
• α: 90°
• β: 99.23°
• γ: 90°
• Cell volume: 140.445 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No