Information card for entry 4517433

Structure parameters

• Formula: K2 Mo15 Se19
• Calculated formula: K2 Mo15 Se19
• Title of publication: Unravelling the Beneficial Influence of Ag insertion on the Thermoelectric Properties of the Cluster Compound K2Mo15Se19
• Authors of publication: Daigre, Gilles; Gougeon, Patrick; Gall, Philippe; Merdrignac-Conanec, Odile; Al Rahal Al Orabi, Rabih; Gautier, Régis; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2020
• a: 9.7229 ± 0.0001 Å
• b: 9.7229 ± 0.0001 Å
• c: 58.2467 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4768.63 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0662
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No