Information card for entry 4327786

Structure parameters

• Common name: Ytterbium polysulfide
• Chemical name: Ytterbium polysulfide
• Formula: S11.048 Y6
• Calculated formula: S11.029 Y6
• SMILES: [Y+2].[S-][S-]
• Title of publication: Structural Frustration and Occupational Disorder: The Rare Earth Metal Polysulfides Tb8S14.8, Dy8S14.9, Ho8S14.9, and Y8S14.8
• Authors of publication: Thomas Doert; Christian Graf; Inga G. Vasilyeva; Walter Schnelle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 282 - 289
• a: 11.505 ± 0.001 Å
• b: 15.386 ± 0.002 Å
• c: 15.727 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90.21 ± 0.02°
• Cell volume: 2783.9 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 2
• Space group number: 5
• Hermann-Mauguin space group symbol: A 1 1 2
• Hall space group symbol: A 2
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for significantly intense reflections: 2.43
• Goodness-of-fit parameter for all reflections included in the refinement: 2.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No