Information card for entry 7135166

Structure parameters

• Chemical name: KNa2Y2B2O6F3
• Formula: B8 F12 K4 Na8 O24 Y8
• Calculated formula: B8 F12 K4 Na8 O24 Y8
• Title of publication: KNa₂Y₂B₂O₆F₃: a beryllium free deep-UV nonlinear optical crystal with well-balanced properties.
• Authors of publication: Zhao, Huijian; Liu, Mengru; Nan, Weina; Yang, Ning; Li, Conggang; Ye, Ning; Hu, Zhanggui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 91
• Pages of publication: 17878 - 17881
• a: 6.674 ± 0.002 Å
• b: 6.674 ± 0.002 Å
• c: 19.991 ± 0.004 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 890.4 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No