Information card for entry 7063927

Structure parameters

• Formula: Ba2 Ge2 Se0.47 Te4.53
• Calculated formula: Ba2 Ge2 Se0.472 Te4.528
• Title of publication: Ba4Ge2Sb2Te8Se2 and Ba2Ge2Te4.5Se0.5: complex heteroanionic Ge-containing phases with extremely low thermal conductivities
• Authors of publication: Yadav, Sweta; Swati,; Prakash, Jai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 33
• Pages of publication: 14131 - 14141
• a: 13.288 ± 0.006 Å
• b: 9.107 ± 0.004 Å
• c: 9.894 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1197.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.0294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No