Information card for entry 7716891

Structure parameters

• Formula: Ba15 Te42 Zr14
• Calculated formula: Ba15 Te42 Zr14
• Title of publication: Ba₁₅Zr₁₄Te₄₂: a new complex ternary telluride structure with low thermal conductivity.
• Authors of publication: Yadav, Sweta; Niranjan, Manish K.; Prakash, Jai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 13.2666 ± 0.001 Å
• b: 13.2666 ± 0.001 Å
• c: 96.195 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14662 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No