Information card for entry 2102194

Structure parameters

• Formula: Cd2 O12 S3 Tl2
• Calculated formula: Cd2 O12 S3 Tl2
• Title of publication: X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate
• Authors of publication: Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 921 - 935
• a: 10.327 ± 0.003 Å
• b: 10.345 ± 0.004 Å
• c: 10.406 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1111.7 ± 0.8 ų
• Cell temperature: 85 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections: 1.94
• Goodness-of-fit parameter for all reflections included in the refinement: 2.33
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes