Information card for entry 4115569

Structure parameters

• Formula: O64 Si32
• Calculated formula: O64 Si32
• Title of publication: Variable-Temperature Microcrystal X-ray Diffraction Studies of Negative Thermal Expansion in the Pure Silica Zeolite IFR
• Authors of publication: Luis A. Villaescusa; Philip Lightfoot; Simon J. Teat; Russell E. Morris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 5453 - 5459
• a: 18.6794 ± 0.0013 Å
• b: 13.5313 ± 0.001 Å
• c: 7.6028 ± 0.0006 Å
• α: 90°
• β: 102.196 ± 0.003°
• γ: 90°
• Cell volume: 1878.3 ± 0.2 ų
• Cell temperature: 30 ± 2 K
• Ambient diffraction temperature: 30 ± 2 K
• Number of distinct elements: 2
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.6942 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No