Information card for entry 7714123

Structure parameters

• Formula: H4 Li O10 S2 Sc
• Calculated formula: H4 Li O10 S2 Sc
• Title of publication: A Lithium-Scandium Sulfate with Second-Harmonic Generation Response and Deep-Ultraviolet Transparency
• Authors of publication: Geng, Zilong; Tang, Hong-Xin; Fu, Ruibiao; Ma, Zuju; Wu, Xintao
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 5.1711 ± 0.0001 Å
• b: 8.6207 ± 0.0001 Å
• c: 18.5151 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 825.38 ± 0.02 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No