Information card for entry 2108457

Structure parameters

• Common name: daliranite
• Formula: As2 Hg Pb S5
• Calculated formula: As2 Hg Pb S5
• Title of publication: Daliranite, PbHgAs~2~S~5~: determination of the incommensurately modulated structure and revision of the chemical formula
• Authors of publication: Lanza, Arianna E.; Gemmi, Mauro; Bindi, Luca; Mugnaioli, Enrico; Paar, Werner H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• a: 21.246 ± 0.005 Å
• b: 4.2897 ± 0.0009 Å
• c: 9.5257 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 868.2 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.3222
• Residual factor for significantly intense reflections: 0.2435
• Weighted residual factors for significantly intense reflections: 0.2946
• Weighted residual factors for all reflections included in the refinement: 0.3025
• Goodness-of-fit parameter for significantly intense reflections: 16.27
• Goodness-of-fit parameter for all reflections included in the refinement: 13.93
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0335 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes