Information card for entry 7242481

Structure parameters

• Formula: H6 Na3 O27 S6 Y3
• Calculated formula: H6 Na3 O27 S6 Y3
• Title of publication: Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization
• Authors of publication: Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 2945 - 2951
• a: 6.8191 ± 0.0003 Å
• b: 6.8191 ± 0.0003 Å
• c: 12.7035 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 511.57 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No