Information card for entry 4345134

Structure parameters

• Chemical name: Lead Bismuth Selenide (6/2/9)
• Formula: Bi2 Pb6 Se9
• Calculated formula: Bi2 Pb6 Se9
• Title of publication: Crystal Structure and Thermoelectric Properties of the (7,7)L Lillianite Homologue Pb6Bi2Se9.
• Authors of publication: Casamento, Joseph; Lopez, Juan S.; Moroz, Nicholas A.; Olvera, Alan; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Poudeu, Pierre F. P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 261 - 268
• a: 4.2567 ± 0.0009 Å
• b: 14.105 ± 0.003 Å
• c: 32.412 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1946 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No