Information card for entry 8101636

Structure parameters

• Formula: Ca4 Fe0.82 Li1.18 N2
• Calculated formula: Ca2 Fe0.8207 Li1.18 N2
• Title of publication: Crystal structure of dicalcium (dinitridolithiate/ferrate(I)), Ca~2~{Li[(Li~1-x~Fe~x~)N~2~]}, x = 0.82
• Authors of publication: Klatyk, Jens; Kniep, Rüdiger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 451 - 452
• a: 5.3559 ± 0.0008 Å
• b: 5.3559 ± 0.0008 Å
• c: 6.6778 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 191.56 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0673
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No