Information card for entry 2003123

Structure parameters

• Formula: Al2 Ca H6 O13 Si3
• Calculated formula: Al2 Ca H6 O13 Si3
• Title of publication: Distribution and Topology of the Electron Density in an Aluminosilicate Compound From High Resolution X-Ray Diffraction Data : The Case of Scolecite
• Authors of publication: Kuntzinger, Sandrine; Ghermani, Nour Eddine; Dusausoy, Yves; Lecomte, Claude
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 1998
• Journal volume: 54
• Pages of publication: 819 - 833
• a: 18.489 ± 0.002 Å
• b: 18.959 ± 0.002 Å
• c: 6.519 ± 0.001 Å
• α: 90°
• β: 90.611 ± 0.013°
• γ: 90°
• Cell volume: 2284.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: F 1 d 1
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections included in the refinement: 0.0237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.5609 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No