Information card for entry 4002757

Structure parameters

• Formula: B2 Mg1.33 Mn0.66 O5
• Calculated formula: B2.00002 Mg1.333 Mn0.667 O5.00005
• Title of publication: MgxMn2‒xB2O5 Pyroborates (2/3 ≤ x ≤ 4/3): High Capacity and High Rate Cathodes for Li-Ion Batteries
• Authors of publication: Glass, Hugh F. J.; Liu, Zigeng; Bayley, Paul M.; Suard, Emmanuelle; Bo, Shou-Hang; Khalifah, Peter G.; Grey, Clare P.; Dutton, Siân E.
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 3118
• a: 3.18809 ± 0.00007 Å
• b: 6.2021 ± 0.00012 Å
• c: 9.36747 ± 0.0002 Å
• α: 104.556 ± 0.0015°
• β: 90.5538 ± 0.0015°
• γ: 92.0289 ± 0.0014°
• Cell volume: 179.131 ± 0.007 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor R(I) for significantly intense reflections: 3.2207
• Goodness-of-fit parameter for all reflections: 2.75
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.59669 Å
• Diffraction radiation type: ConstantWavelengthNeutronDiffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No