Information card for entry 2311742

Structure parameters

• Formula: C6 Ba3 Mg3 O18
• Calculated formula: C6 Ba3 Mg3 O18
• Title of publication: Evolution of the α-BaMg(CO₃)₂ low-temperature superstructure and the tricritical nature of its α-β phase transition.
• Authors of publication: Ende, Martin; Effenberger, Herta; Miletich, Ronald
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 827 - 835
• a: 5.0083 ± 0.0001 Å
• b: 5.0083 ± 0.0001 Å
• c: 33.3987 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 725.51 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0099
• Weighted residual factors for significantly intense reflections: 0.0199
• Weighted residual factors for all reflections included in the refinement: 0.0209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No