Information card for entry 1563081

Structure parameters

• Formula: Ca3 O6 W
• Calculated formula: Ca3 O6 W
• SMILES: [O-][W]([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2]
• Title of publication: Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides
• Authors of publication: Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2012
• Journal volume: 185
• Pages of publication: 107 - 116
• a: 5.55175 ± 0.00026 Å
• b: 5.81004 ± 0.00027 Å
• c: 8.0066 ± 0.0004 Å
• α: 90°
• β: 90.1915 ± 0.0008°
• γ: 90°
• Cell volume: 258.26 ± 0.02 ų
• 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: 1.25
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No