Information card for entry 4002701

Structure parameters

• Formula: H2 La N O5
• Calculated formula: H2 La N O5
• Title of publication: Structural Modulation of Nitrate Group with Cations to Affect SHG Responses in RE(OH)2NO3 (RE = La, Y, and Gd): New Polar Materials with Large NLO Effect after Adjusting pH Values of Reaction Systems
• Authors of publication: Song, Yunxia; Luo, Min; Lin, Chensheng; Ye, Ning
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 6.495 ± 0.004 Å
• b: 3.967 ± 0.002 Å
• c: 7.784 ± 0.005 Å
• α: 90°
• β: 99.913 ± 0.011°
• γ: 90°
• Cell volume: 197.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0148
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No