Information card for entry 4120322

Structure parameters

• Formula: Au16 Ba8 P30
• Calculated formula: Au16 Ba8 P30
• Title of publication: Clathrate Ba8Au16P30: The "Gold Standard" for Lattice Thermal Conductivity
• Authors of publication: James Fulmer; Oleg I. Lebedev; Vladimir Roddatis; Derrick C. Kaseman; Sabyasachi Sen; Juli-Anna Dolyniuk; Kathleen Lee; Andrei V. Olenev; Kirill Kovnir
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12313 - 12323
• a: 14.6362 ± 0.0001 Å
• b: 10.4655 ± 0.0001 Å
• c: 28.9836 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4439.57 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.41335 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes