Information card for entry 4330747

Structure parameters

• Formula: Ba3 In S6 Yb
• Calculated formula: Ba3 In1.001 S6 Yb0.999
• Title of publication: Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties
• Authors of publication: Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11144 - 11149
• a: 12.0565 ± 0.0017 Å
• b: 12.0565 ± 0.0017 Å
• c: 13.713 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1726.3 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No