Information card for entry 1561803

Structure parameters

• Formula: Nb O6 Rb W
• Calculated formula: Nb0.956 O6 Rb W1.044
• Title of publication: Modal disorder and phase transition in Rb0.91Nb0.96W1.04O5.98. Interpretation of X-ray diffuse scattering using the group theory approach
• Authors of publication: Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam; Sikora, Wiesława; Majchrowski, Andrzej
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 230
• Pages of publication: 325 - 336
• a: 7.3108 ± 0.001 Å
• b: 7.3108 ± 0.001 Å
• c: 10.364 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 553.93 ± 0.15 ų
• Cell temperature: 293 ± 0.5 K
• Ambient diffraction temperature: 293 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No