Information card for entry 7714623

Structure parameters

• Formula: H2 I Mo Na O7
• Calculated formula: H2 I Mo Na O7
• Title of publication: NaMoO₃(IO₃)(H₂O): water molecule introduction induces strong second harmonic generation response, widened band gap and large anisotropy.
• Authors of publication: Shui, Yi; Liang, Zhengli; Li, Zhenhua; Wan, Jiahao; Liu, Lehui; Jiang, Xingxing; Lin, Zheshuai; Liu, Hongming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1221 - 1229
• a: 10.9278 ± 0.0009 Å
• b: 7.7836 ± 0.0006 Å
• c: 7.2784 ± 0.0006 Å
• α: 90°
• β: 99.345 ± 0.008°
• γ: 90°
• Cell volume: 610.87 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No