Information card for entry 7061236

Structure parameters

• Formula: Ba4 Bi3 Na O12
• Calculated formula: Ba4 Bi3.00025 Na0.99975 O12
• Title of publication: Hydrothermal synthesis and crystal structure of a novel double-perovskite-type bismuth oxide with 3 : 1 ordering at the B-site
• Authors of publication: Hossain, Khandaker Monower; Saiduzzaman, Md; Kumada, Nobuhiro; Takei, Takahiro; Yamane, Hisanori
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3595 - 3601
• a: 8.5415 ± 0.0002 Å
• b: 8.5421 ± 0.0002 Å
• c: 8.5441 ± 0.0002 Å
• α: 89.996 ± 0.001°
• β: 89.995 ± 0.001°
• γ: 90.016 ± 0.001°
• Cell volume: 623.4 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No