Information card for entry 4329293

Structure parameters

• Formula: Ca1.033 Ga3 La0.967 O7
• Calculated formula: Ca1.032 Ga3 La0.968 O7
• Title of publication: Crystal Chemistry of Melilite [CaLa]2[Ga]2[Ga2O7]2: a Five Dimensional Solid Electrolyte
• Authors of publication: Fengxia Wei; Tom Baikie; Tao An; Christian Kloc; Jun Wei; Tim J. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5941 - 5949
• a: 7.9386 ± 0.0002 Å
• b: 7.9386 ± 0.0002 Å
• c: 5.2641 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 331.75 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No