Information card for entry 7241852

Structure parameters

• Common name: claudetite I
• Formula: As2 O3
• Calculated formula: As2 O3
• Title of publication: High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph
• Authors of publication: Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 638 - 644
• a: 5.29402 ± 0.00016 Å
• b: 12.885 ± 0.0004 Å
• c: 4.50656 ± 0.00013 Å
• α: 90°
• β: 94.329 ± 0.003°
• γ: 90°
• Cell volume: 306.531 ± 0.016 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No