Information card for entry 9005834

Structure parameters

• Mineral name: Baddeleyite
• Formula: O2 Zr
• Calculated formula: O2 Zr
• SMILES: [Zr+4].[O-2].[O-2]
• Title of publication: In situ determination of crystal structure for high pressure phase of ZrO2 using a diamond anvil and single crystal X-ray diffraction method Sample: P = 39 kbar, post baddeleyite structure
• Authors of publication: Kudoh, Y.; Takeda, H.; Arashi, H.
• Journal of publication: Physics and Chemistry of Minerals
• Year of publication: 1986
• Journal volume: 13
• Pages of publication: 233 - 237
• a: 5.005 Å
• b: 5.235 Å
• c: 5.051 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 132.342 ų
• Ambient diffracton pressure: 3900000 kPa
• Number of distinct elements: 2
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No