Information card for entry 1000037

Structure parameters

• Chemical name: Barium sulfate
• Mineral name: Barite
• Formula: Ba O4 S
• Calculated formula: Ba O4 S
• SMILES: [Ba+2].S(=O)(=O)([O-])[O-]
• Title of publication: A Refinement of the Structure of Barite
• Authors of publication: Colville, A A; Staudhammer, K
• Journal of publication: American Mineralogist
• Year of publication: 1967
• Journal volume: 52
• Pages of publication: 1877 - 1880
• a: 8.884 ± 0.004 Å
• b: 5.458 ± 0.003 Å
• c: 7.153 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 346.8 ų
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.051
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No