Information card for entry 9000251

Structure parameters

• Mineral name: Paracoquimbite
• Formula: Fe2 H9 O21 S3
• Calculated formula: Fe2 H9 O21 S3
• SMILES: [Fe]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Fe]12([OH2])([OH2])([OH2])OS(=O)(=O)O[Fe]34(OS(=O)(=O)O1)(OS(=O)(=O)O2)OS(=O)(=O)O[Fe]([OH2])([OH2])([OH2])(OS(=O)(=O)O3)OS(=O)(=O)O4.O.O.O.O.O.O
• Title of publication: Crystal structures and mineral chemistry of hydrated ferric sulphates: II. The crystal structure of paracoquimbite
• Authors of publication: Robinson, P. D.; Fang, J. H.
• Journal of publication: American Mineralogist
• Year of publication: 1971
• Journal volume: 56
• Pages of publication: 1567 - 1572
• a: 10.926 Å
• b: 10.926 Å
• c: 51.3 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5303.6 ų
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No