Information card for entry 4518360

Structure parameters

• Formula: La3 Li6.27 O12 Ta1.09 Zr0.91
• Calculated formula: La2.961 Li6.072 O12 Ta1.102 Zr0.898
• Title of publication: Wet-Environment-Induced Structural Alterations in Single- and Polycrystalline LLZTO Solid Electrolytes Studied by Diffraction Techniques
• Authors of publication: Redhammer, Günther J.; Badami, Pavan; Meven, Martin; Ganschow, Steffen; Berendts, Stefan; Tippelt, Gerold; Rettenwander, Daniel
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 12.8592 ± 0.0002 Å
• b: 12.8592 ± 0.0002 Å
• c: 12.8592 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2126.38 ± 0.06 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 230
• Hermann-Mauguin space group symbol: I a -3 d
• Hall space group symbol: -I 4bd 2c 3
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: MLZ SR9B (hot source)
• Diffraction radiation wavelength: 0.793 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No