Information card for entry 4002452

Structure parameters

• Formula: Ba3 N8 O8 Si8 Sr
• Calculated formula: Ba3 N8 O8 Si8 Sr
• Title of publication: Photoluminescence Tuning via Cation Substitution in Oxonitridosilicate Phosphors: DFT Calculations, Different Site Occupations, and Luminescence Mechanisms
• Authors of publication: Guogang Li; Chun Che Lin; Wei-Ting Chen; Maxim S. Molokeev; Victor V. Atuchin; Chang-Yang Chiang; Wuzong Zhou; Chin-Wei Wang; Wen-Hsien Li; Hwo-Shuenn Sheu; Ting-Shan Chan; ChongGeng Ma; Ru-Shi Liu
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2991
• a: 4.79674 ± 0.00049 Å
• b: 5.47004 ± 0.0005 Å
• c: 14.2965 ± 0.0021 Å
• α: 89.867 ± 0.014°
• β: 89.885 ± 0.016°
• γ: 90 ± 0.012°
• Cell volume: 375.11 ± 0.08 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor R(I) for significantly intense reflections: 1.379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.304
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes