Information card for entry 1537469

Structure parameters

• Chemical name: (Al13 (OH)24 O4 (H2O)12) (S O4)3 (H2 O)16
• Formula: Al13 H79 O68 S3
• Calculated formula: Al13 O68 S3
• SMILES: [O]123[Al]456([OH][Al]781([OH][Al]19([OH][Al]%10%11%12([OH][Al]%13%14([O]%15%16[Al]%17([OH][Al]2([OH]5)([OH]%17)([OH]8)[OH2])([OH]%13)([OH][Al]2%16([OH2])([OH][Al]58([O]%13%16[Al]3%15[O]1%10[Al]1([OH][Al]%16([OH][Al]%13([OH]4)([OH]5)([OH]6)[OH2])([OH]1)([OH]8)[OH2])([OH]%12)([OH]9)[OH2])([OH]2)[OH2])[OH]%14)[OH2])([OH]%11)[OH2])[OH2])([OH]7)[OH2])[OH2])[OH2].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: On the crystal structure of the basic aluminum sulfate (Al2 O3)13 (S O3)6 (H2 O)79
• Authors of publication: Johansson, G.
• Journal of publication: Arkiv foer Kemi
• Year of publication: 1963
• Journal volume: 20
• Pages of publication: 321 - 342
• a: 14.18 Å
• b: 11.5 Å
• c: 17.73 Å
• α: 90°
• β: 102.3°
• γ: 90°
• Cell volume: 2824.86 ų
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No