Information card for entry 7252066

Structure parameters

• Formula: C8 Ca5 Na6 O24
• Calculated formula: C8 Ca4.99 Na6.01 O24.97
• Title of publication: Explorations of new UV nonlinear optical materials in the Na2CO3-CaCO3 system
• Authors of publication: Song, Yunxia; Luo, Min; Zhao, Dan; Peng, Guang; Lin, Chensheng; Ye, Ning
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 8758
• a: 10.0708 ± 0.0019 Å
• b: 10.0708 ± 0.0019 Å
• c: 12.604 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1107 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No