Information card for entry 4001045

Structure parameters

• Formula: Bi14.32 O42 P7 Zn1.99
• Calculated formula: Bi14.31 O41 P7 Zn1.9936
• Title of publication: Building Units and Intergrowths: Toward the Design of an Extended Family of Acentric Bi-Based Materials with Second Harmonic Generacy
• Authors of publication: Huvé, Marielle; Colmont, Marie; Lejay, Julien; Aschehoug, Patrick; Mentré, Olivier
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 4019
• a: 11.579 ± 0.003 Å
• b: 5.476 ± 0.001 Å
• c: 59.015 ± 0.002 Å
• α: 90°
• β: 90.28 ± 0.02°
• γ: 90°
• Cell volume: 3741.9 ± 1.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: I 1 m 1
• Hall space group symbol: I -2y
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for significantly intense reflections: 2.48
• Goodness-of-fit parameter for all reflections included in the refinement: 2.51
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No