Information card for entry 4003026

Structure parameters

• Formula: Ba Be20 N14
• Calculated formula: Ba Be20 N14
• SMILES: [N-3].[Ba+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[N-3].[Be+2].[Be+2].[Be+2].[N-3].[Be+2].[N-3].[N-3].[Be+2].[Be+2].[Be+2].[Be+2].[N-3].[Be+2].[Be+2].[Be+2].[Be+2].[N-3]
• Title of publication: MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence
• Authors of publication: Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3174
• a: 6.54 ± 0.006 Å
• b: 6.54 ± 0.006 Å
• c: 12.214 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 522.4 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No