Information card for entry 2106556

Structure parameters

• Chemical name: Hf18 O10 (O H)26 (S O4)13 (H2 O)33
• Formula: H92 Hf18 O121 S13
• Calculated formula: Hf18 O121 S13
• SMILES: [Hf]123456([OH2])[O]78[Hf]9%10%11%12%13[OH]4[Hf]4%14%15%16%17%18[OH]%19[Hf]%20%21%22%23%24(OS(=[O]4)(=O)O9)[O]%12%14[Hf]49%12%14%25([O]=S(=O)(O%10)O%20)[OH]%18[Hf]%10%18%20([OH]2%15)(OS(=O)(=O)O%18)(OS(=O)(O%20)=O)[OH]1[Hf]127([OH]%114)([OH]9%10)([OH2])[OH]4[Hf]789%10(OS(=O)(=O)O%13)[OH]8[Hf]%11%15%18([OH]69)([OH2])(OS(=O)(=O)O%10)[OH][Hf]6984([OH2])(OS(=O)(=O)O7)[OH][Hf]4([OH]1)([OH]26)([OH2])(OS(=O)(=O)O9)[OH][Hf]1([OH2])([OH]4)([OH2])([OH2])[OH][Hf]24([OH2])([OH]%12)([OH2])([OH]1)[OH]%14[Hf]1(OS(=O)(=O)O%21)([OH]%22%25)([OH2])(OS(=O)(O2)=O)([OH]4)[OH]%23[Hf]24%19([OH]1)(OS(=O)(=O)O%24)([OH2])[OH]%16[Hf]1([OH2])([OH]%17)([OH]2)(OS(=O)(=O)O4)([OH2])[OH][Hf]2([OH2])([OH2])([OH]1)([OH2])[OH][Hf]([OH]5)([OH]%15)([OH]2)([OH]3%11)([OH2])OS(=O)(=O)[OH]%18.S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: The crystal structure of Hf18 O10 (O H)26 (S O4)13 (H2 O)33
• Authors of publication: Mark, W.; Hansson, M.
• Journal of publication: Acta Crystallographica B (24,1968-38,1982)
• Year of publication: 1975
• Journal volume: 31
• Pages of publication: 1101 - 1108
• a: 34.09 Å
• b: 34.09 Å
• c: 17.664 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17777.6 ų
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No