Information card for entry 2103618

Structure parameters

• Formula: K0.934 O2.94 Ta
• Calculated formula: K0.0042 O0.03258 Ta0.0065
• Title of publication: A novel perovskite-like Ta-bronze KTa~1+<i>z~</i>O~3~: preparation, stoichiometry, conductivity and crystal structure studies
• Authors of publication: Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir; Shamray, Vladimir
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 157 - 162
• a: 4.005 ± 0.0004 Å
• b: 4.005 ± 0.0004 Å
• c: 4.005 ± 0.0004 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 64.24 ± 0.011 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0094
• Residual factor for significantly intense reflections: 0.0094
• Weighted residual factors for all reflections included in the refinement: 0.006
• Goodness-of-fit parameter for significantly intense reflections: 3.05
• Goodness-of-fit parameter for all reflections included in the refinement: 3.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes