Information card for entry 7703999

Structure parameters

• Formula: Ba6 Li2 Mn S16 Sn4
• Calculated formula: Ba6 Li2.04 Mn0.969 S16 Sn4
• Title of publication: Non-centrosymmetric sulfides A₂Ba₆MnSn₄S₁₆ (A = Li, Ag): syntheses, structures and properties.
• Authors of publication: Duan, Ruihuan; Lin, Hua; Wang, Yue; Zhou, Yuqiao; Wu, Liming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5914 - 5920
• a: 14.608 ± 0.0005 Å
• b: 14.608 ± 0.0005 Å
• c: 14.608 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.25 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0122
• Residual factor for significantly intense reflections: 0.0121
• Weighted residual factors for significantly intense reflections: 0.0279
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No