Information card for entry 4003456

Structure parameters

• Formula: Ge4 K4 Li2 O13 Ti
• Calculated formula: Ge4 K4 Li2 O13 Ti
• Title of publication: Li2K4TiOGe4O12: A Stable Mid-Infrared Nonlinear Optical Material
• Authors of publication: Xu, Jingjing; Wu, Hongping; Yu, Hongwei; Zhang, Weiguo; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Halasyamani, P. Shiv
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 11.5984 ± 0.0002 Å
• b: 11.5984 ± 0.0002 Å
• c: 5.18 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 696.83 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No