Information card for entry 4001669

Structure parameters

• Formula: Ag3 In2 Mo15 Se19
• Calculated formula: Ag2.9874 In2 Mo15 Se19
• Title of publication: Synthesis, Crystal and Electronic Structures, and Thermoelectric Properties of the Novel Cluster Compound Ag3In2Mo15Se19
• Authors of publication: Gougeon, Patrick; Gall, Philippe; Al Rahal Al Orabi, Rabih; Fontaine, Bruno; Gautier, Régis; Potel, Michel; Zhou, Tong; Lenoir, Bertrand; Colin, Malika; Candolfi, Christophe; Dauscher, Anne
• Journal of publication: Chemistry of Materials
• Year of publication: 2012
• Journal volume: 24
• Journal issue: 15
• Pages of publication: 2899
• a: 9.9755 ± 0.0001 Å
• b: 9.9755 ± 0.0001 Å
• c: 57.2943 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4937.55 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0555
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No