Information card for entry 4320311

Structure parameters

• Formula: Li6.23 Mn1.77 N3
• Calculated formula: Li6.23 Mn1.779 N3
• 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: 6.359 ± 0.003 Å
• b: 6.359 ± 0.003 Å
• c: 3.817 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 133.67 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No