Information card for entry 7038905

Structure parameters

• Chemical name: Na3Y3(BO3)4
• Formula: B4 Na3 O12 Y3
• Calculated formula: B4 Na3 O12 Y3
• Title of publication: Na3Y3(BO3)4: a new noncentrosymmetric borate with an open-framework structure.
• Authors of publication: Shan, Faxian; Kang, Lei; Zhang, Guochun; Yao, Jiyong; Lin, Zheshuai; Xia, Mingjun; Zhang, Xinyuan; Fu, Ying; Wu, Yicheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7205 - 7208
• a: 10.1136 ± 0.0014 Å
• b: 10.1136 ± 0.0014 Å
• c: 6.7485 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 597.79 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No