Information card for entry 4508222

Structure parameters

• Formula: Ge0.2172 O Si0.2827
• Calculated formula: Ge0.21723 O Si0.28283
• Title of publication: Disorder in Extra-Large Pore Zeolite ITQ-33 Revealed by Single Crystal XRD
• Authors of publication: Liu, Leifeng; Yu, Zheng-Bao; Chen, Hong; Deng, Youqian; Lee, Bao-Lin; Sun, Junliang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4168
• a: 19.3095 ± 0.0004 Å
• b: 19.3095 ± 0.0004 Å
• c: 11.513 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3717.59 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No