Information card for entry 4512109

Structure parameters

• Formula: H4 Li N O4 S
• Calculated formula: H4 Li N O4 S
• Title of publication: Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering
• Authors of publication: Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5784
• a: 10.21 ± 0.002 Å
• b: 5.008 ± 0.001 Å
• c: 17.153 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 877.1 ± 0.3 ų
• Cell temperature: 383 ± 0.5 K
• Ambient diffraction temperature: 383 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No