Information card for entry 4329738

Structure parameters

• Formula: In2 O12 Se4 Zn
• Calculated formula: In2 O12 Se4 Zn
• Title of publication: Effect of the Framework Flexibility on the Centricities in Centrosymmetric In2Zn(SeO3)4 and Noncentrosymmetric Ga2Zn(TeO3)4
• Authors of publication: Dong Woo Lee; Dan-bee Bak; Saet Byeol Kim; Jiwon Kim; Kang Min Ok
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7844 - 7850
• a: 8.4331 ± 0.0007 Å
• b: 4.7819 ± 0.0004 Å
• c: 14.6583 ± 0.0013 Å
• α: 90°
• β: 101.684 ± 0.006°
• γ: 90°
• Cell volume: 578.87 ± 0.09 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No