Information card for entry 7123647

Structure parameters

• Formula: Ba8 Ga2 S15 Zn4
• Calculated formula: Ba8 Ga2 S15 Zn4
• Title of publication: Quaternary Semiconductor Ba8Zn4Ga2S15 Featuring Unique One-dimensional Chains and Exhibiting Desirable Yellow Emission
• Authors of publication: Li, Yan-Yan; Liu, Peng-Fei; Lin, Hua; Wu, Li-Ming; WU, XIN-TAO; Zhu, Qi-Long
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.3276 ± 0.0012 Å
• b: 9.0097 ± 0.0004 Å
• c: 13.3315 ± 0.0011 Å
• α: 90°
• β: 109.52 ± 0.005°
• γ: 90°
• Cell volume: 1508.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No