Information card for entry 7224572

Structure parameters

• Formula: Nb2.667 O8 Zn1.333
• Calculated formula: Nb2.6668 O8 Zn1.3332
• Title of publication: Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6
• Authors of publication: Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 2929
• a: 4.7283 ± 0.0004 Å
• b: 5.7208 ± 0.0004 Å
• c: 5.0331 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 136.14 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0136
• Weighted residual factors for all reflections included in the refinement: 0.015
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No