Information card for entry 7216467

Structure parameters

• Formula: Ba O6 Pb Si2
• Calculated formula: Ba O6 Pb Si2
• Title of publication: BaPbSi2O6·BaSO4: the first mixed anionic compound synthesized via BaSO4 salt-inclusion
• Authors of publication: Dong, Lingyun; Pan, Shilie; Wang, Ying; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Wu, Hongping; Zhang, Min
• Journal of publication: CrystEngComm
• Year of publication: 2014
• a: 5.5092 ± 0.0017 Å
• b: 15.45 ± 0.005 Å
• c: 7.287 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 620.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No