Information card for entry 2008132

Structure parameters

• Formula: Ba3 Mn2 O8
• Calculated formula: Ba3 Mn2 O8
• SMILES: O=[Mn]([O-])([O-])[O-].O=[Mn]([O-])([O-])[O-].[Ba+2].[Ba+2].[Ba+2]
• Title of publication: Ba~3~Mn~2~O~8~ determined from neutron powder diffraction
• Authors of publication: Weller, Mark T.; Skinner, Stephen J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 154 - 156
• a: 5.710728 ± 0.000016 Å
• b: 5.710728 ± 0.000016 Å
• c: 21.44383 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 605.642 ± 0.004 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 1.7
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No