Information card for entry 1100750

Structure parameters

• Formula: Ba6 Cl3 Mn4 O34 Si12
• Calculated formula: Ba6 Cl3 Mn4 O34 Si12
• Title of publication: Salt-Inclusion Synthesis of Two New Polar Solids, Ba6Mn4Si12O34Cl3 and Ba6Fe5Si11O34Cl3
• Authors of publication: Xunhua Mo; Erin Ferguson; Shiou-Jyh Hwu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3121 - 3126
• a: 6.8211 ± 0.0014 Å
• b: 9.6203 ± 0.0019 Å
• c: 13.172 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 864.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No