Information card for entry 4513576

Structure parameters

• Common name: arsenolite
• Formula: As4 O6
• Calculated formula: As4 O6
• SMILES: O1[As]2O[As]3O[As]1O[As](O2)O3
• Title of publication: Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He
• Authors of publication: Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3740
• a: 10.0124 ± 0.0004 Å
• b: 10.0124 ± 0.0004 Å
• c: 10.0124 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1003.72 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 11080000 ± 50000 kPa
• Ambient diffracton pressure: 11080000 ± 50000 kPa
• Number of distinct elements: 2
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41427 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No