Information card for entry 4513281

Structure parameters

• Formula: As4 O6
• Calculated formula: As4 O6
• Title of publication: Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
• Authors of publication: Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3950
• a: 12.9231 ± 0.0008 Å
• b: 4.4816 ± 0.0001 Å
• c: 17.2952 ± 0.0015 Å
• α: 90°
• β: 143.48 ± 0.004°
• γ: 90°
• Cell volume: 596.1 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 2080000 ± 110000 kPa
• Ambient diffracton pressure: 2080000 ± 110000 kPa
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41427 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No