Information card for entry 4324652

Structure parameters

• Formula: K1.39 Mn3 O6
• Calculated formula: K1.39 Mn3 O6
• Title of publication: Buckled Layers in K0.66Mn2O4.0.28H2O and K0.99Mn3O6.1.25H2O Synthesized at High Pressure: Implication for the Mechanism of Layer-to-Tunnel Transformation in Manganese Oxides
• Authors of publication: Qingxin Chu; Xiaofeng Wang; Xinhao Zhang; Qiliang Li; Xiaoyang Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2049 - 2051
• a: 14.259 ± 0.004 Å
• b: 2.8438 ± 0.0007 Å
• c: 9.526 ± 0.002 Å
• α: 90°
• β: 126.908 ± 0.016°
• γ: 90°
• Cell volume: 308.87 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No