Information card for entry 1563078

Structure parameters

• Formula: Ba2 Ca Mo O6
• Calculated formula: Ba2 Ca Mo O6
• SMILES: [O-][Mo]([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ba+2].[Ba+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: 8.380113 ± 0.000028 Å
• b: 8.380113 Å
• c: 8.380113 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 588.504 ± 0.002 ų
• Number of distinct elements: 4
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Goodness-of-fit parameter for all reflections: 1.31
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No