Information card for entry 4320309

Structure parameters

• Chemical name: Heptalithium tetranitridomanganate(V)
• Formula: Li7 Mn N4
• Calculated formula: Li7 Mn N4
• SMILES: [Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[N-2][Mn]([N-2])([N-2])[N-2]
• Title of publication: Li~24~[MnN~3~]~3~N~2~ and Li~5~[(Li~1-x~Mn~x~)N]~3~, Two Intermediates in the Decomposition Path of Li~7~[MnN~4~] to Li~2~[(Li~1-x~Mn~x~)N]: An Experimental and Theoretical Study
• Authors of publication: Niewa, R.; Hochrein, O.; Schnelle, W.; Wagner, F.R.; Kniep, R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5215 - 5222
• a: 9.5602 ± 0.001 Å
• b: 9.5602 ± 0.001 Å
• c: 9.5602 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 873.78 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No