Information card for entry 1011149

Structure parameters

• Chemical name: Barium carbonate
• Mineral name: Witherite
• Formula: C Ba O3
• Calculated formula: C Ba O3
• SMILES: [Ba+2].C(=O)([O-])[O-]
• Title of publication: The crystal structure of witherite.
• Authors of publication: Colby, M Y; la Coste, J B
• Journal of publication: Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)
• Year of publication: 1935
• Journal volume: 90
• Pages of publication: 1 - 7
• a: 5.28 ± 0.02 Å
• b: 8.83 ± 0.02 Å
• c: 6.39 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 297.9 ų
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n S1
• Hall space group symbol: -P 2n 2a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No