Information card for entry 7720607

Structure parameters

• Formula: Nb2 O12 S Te2
• Calculated formula: Nb2 O12 S Te2
• Title of publication: Double second-order Jahn-Teller strategy driven NLO response in sulfate crystal Nb₂O₂(TeO₃)₂(SO₄) with a large birefringence.
• Authors of publication: Xu, Jingsha; Zhang, Xiaofeng; Chen, Shanshan; Wang, Weiyi; Qiu, Wenbo; Cai, Weizhao; Zhou, Liujiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 5189 - 5196
• a: 20.0326 ± 0.0007 Å
• b: 6.5977 ± 0.0003 Å
• c: 7.6438 ± 0.0002 Å
• α: 90°
• β: 107.22 ± 0.002°
• γ: 90°
• Cell volume: 964.99 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No