Information card for entry 7241859

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: 5.27158 ± 0.00013 Å
• b: 12.7597 ± 0.0003 Å
• c: 4.48224 ± 0.00011 Å
• α: 90°
• β: 94.731 ± 0.003°
• γ: 90°
• Cell volume: 300.465 ± 0.013 ų
• Cell temperature: 20 ± 1 K
• Ambient diffraction temperature: 20 ± 1 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: 0.0427
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No