Information card for entry 2102037

Structure parameters

• Common name: aluminium thallium alum
• Formula: Al H24 O20 S2 Tl
• Calculated formula: Al H24 O20 S2 Tl
• Title of publication: Structure of the alums. I. On the sulfate group disorder in the α-alums
• Authors of publication: Nyburg, Stanley C.; Steed, Jon W.; Aleksovska, Slobotka; Petrusevski, Vladimir M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 204 - 209
• a: 12.2305 ± 0.0005 Å
• b: 12.2305 ± 0.0005 Å
• c: 12.2305 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.5 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No