Information card for entry 4349711

Structure parameters

• Formula: Ag6 Ba6 In2 Te12
• Calculated formula: Ag6 Ba6 In2 Te12
• Title of publication: Synthesis, crystal structure and thermoelectric properties of a new metal telluride Ba3Ag3InTe6
• Authors of publication: Lee, M.-Y.; Bilc, D. I.; Symeou, E.; Lin, Y.-C.; Liang, I.-C.; Kyratsi, T.; Hsu, K.-F.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1458
• a: 4.5669 ± 0.0003 Å
• b: 27.9366 ± 0.0016 Å
• c: 13.3819 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1707.31 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No