Information card for entry 7024661

Structure parameters

• Formula: Ba8 Ge42.1 Ni3.5
• Calculated formula: Ba8 Ge41.98 Ni3.498
• Title of publication: Atomic ordering and thermoelectric properties of the n-type clathrate Ba8Ni3.5Ge42.1square0.4.
• Authors of publication: Nguyen, L. T. K.; Aydemir, U.; Baitinger, M.; Bauer, E.; Borrmann, H.; Burkhardt, U.; Custers, J.; Haghighirad, A.; Höfler, R; Luther, K. D.; Ritter, F.; Assmus, W.; Grin, Yu; Paschen, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 4
• Pages of publication: 1071 - 1077
• a: 10.6798 ± 0.0002 Å
• b: 10.6798 ± 0.0002 Å
• c: 10.6798 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1218.12 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No