Information card for entry 2312296

Structure parameters

• Common name: natrolite
• Formula: Al2 H4 Na2 O12 Si3
• Calculated formula: Al2 H4 Na2 O12 Si3
• Title of publication: Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data
• Authors of publication: Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas
• Journal of publication: Acta Crystallographica Section A Foundations and Advances
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 427 - 439
• a: 18.2872 ± 0.0011 Å
• b: 18.666 ± 0.0014 Å
• c: 6.6222 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2260.5 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.1458
• Weighted residual factors for significantly intense reflections: 0.3033
• Weighted residual factors for all reflections included in the refinement: 0.3052
• Goodness-of-fit parameter for significantly intense reflections: 7.8689
• Goodness-of-fit parameter for all reflections included in the refinement: 6.2593
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: electrons200keV
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No