Information card for entry 9009842

Structure parameters

• Mineral name: Orschallite
• Formula: Ca3 H24 O22 S3
• Calculated formula: Ca3 O22 S3
• SMILES: [Ca]123([OH2])([OH2])([OH2])([OH2])[O]4[Ca]56([OH2])([OH2])([OH2])([OH2])[O]1S1=[O]2[Ca]2([OH2])([OH2])([OH2])([OH2])([O]15)[O]3S4=[O]26.S(=O)(=O)([O-])[O-]
• Title of publication: Orschallite, Ca3(SO3)2SO4*12H2O, a new calcium-sulfite-sulfate-hydrate mineral Locality: Hannebacher Ley, Hannebach, Eifel, Germany
• Authors of publication: Weidenthaler, C.; Tillmanns, E.; Hentschel, G.
• Journal of publication: Mineralogy and Petrology
• Year of publication: 1993
• Journal volume: 48
• Pages of publication: 167 - 177
• a: 11.35 Å
• b: 11.35 Å
• c: 28.321 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3159.59 ų
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No