Information card for entry 2312425

Structure parameters

• Formula: Ca8 O16 Si4
• Calculated formula: Ca8 O16 Si4
• Title of publication: Three-dimensional electron diffraction on clinkers: the belite α'_H incommensurate modulated structure.
• Authors of publication: Plana-Ruiz, Sergi; Götz, Emilia; Neumann, Thomas; Schwesig, Peter; Kolb, Ute
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 2
• Pages of publication: 105 - 116
• a: 6.776 Å
• b: 5.496 Å
• c: 9.252 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 344.553 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Goodness-of-fit parameter for all reflections included in the refinement: 2.03
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0197 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No