Information card for entry 1100751

Structure parameters

• Formula: Ba6 Cl3 Fe5 O34 Si11
• Calculated formula: Ba6 Cl3 Fe5 O34 Si11
• 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: 6.8782 ± 0.0014 Å
• b: 9.6635 ± 0.0019 Å
• c: 13.098 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 870.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No