Information card for entry 1100086

Structure parameters

• Chemical name: Magnesium hydrogensulfate hydrate
• Formula: H4 Mg O9 S2
• Calculated formula: H4 Mg O9 S2
• SMILES: [Mg+2].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].O
• Title of publication: Ueber die Bildung und Kristallstruktur von Mg(HSO~4~)~2~ * H~2~O
• Authors of publication: Worzala, H; Schneider, M; Kemnitz, E; Trojanov, S I
• Journal of publication: Zeitschrift fuer Anorganische und Allgemeine Chemie
• Year of publication: 1991
• Journal volume: 596
• Pages of publication: 167 - 171
• a: 8.623 ± 0.002 Å
• b: 5.014 ± 0.001 Å
• c: 15.428 ± 0.003 Å
• α: 90°
• β: 101.33 ± 0.02°
• γ: 90°
• Cell volume: 654 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No