Information card for entry 7719733

Structure parameters

• Formula: B15 Ba K6 Li0.94 O30 Y2.06
• Calculated formula: B15 Ba K6 Li0.943 O30 Y2.057
• Title of publication: Synthesising a series of promising ultraviolet nonlinear optical materials with the aid of the flexibility of isolated [B₅O₁₀] groups.
• Authors of publication: Song, Yixin; Yu, Hongwei; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 16356 - 16362
• a: 12.719 ± 0.002 Å
• b: 12.719 ± 0.002 Å
• c: 16.241 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2275.4 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No