Information card for entry 4314681

Structure parameters

• Formula: Ba2 Se5 Sn
• Calculated formula: Ba2 Se5 Sn
• Title of publication: Reversible Reconstructive Phase Transition of Ba2SnSe5: A New High Temperature Modification with Completely Different Structural Motifs
• Authors of publication: Mariya Zelinska; Abdeljalil Assoud; Christian Graf; Holger Kleinke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1090 - 1093
• a: 9.3949 ± 0.0006 Å
• b: 8.8656 ± 0.0006 Å
• c: 12.5745 ± 0.0007 Å
• α: 90°
• β: 113.299 ± 0.004°
• γ: 90°
• Cell volume: 961.94 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No