Information card for entry 7039602

Structure parameters

• Formula: Ba1.98 Ni8 Sb12.24 Sn11.76
• Calculated formula: Ba1.978 Ni8 Sb12.24 Sn11.76
• Title of publication: Ba-filled Ni-Sb-Sn based skutterudites with anomalously high lattice thermal conductivity.
• Authors of publication: Paschinger, W.; Rogl, G.; Grytsiv, A.; Michor, H.; Heinrich, P. R.; Müller, H; Puchegger, S.; Klobes, B.; Hermann, R. P.; Reinecker, M.; Eisenmenger-Sitter, Ch; Broz, P.; Bauer, E.; Giester, G.; Zehetbauer, M.; Rogl, P. F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11071 - 11100
• a: 9.2083 ± 0.0002 Å
• b: 9.2083 ± 0.0002 Å
• c: 9.2083 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 780.8 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No