Information card for entry 4335512

Structure parameters

• Common name: germanium-phosphor telluride
• Chemical name: germanium-phosphor telluride
• Formula: Ge129.28 P42.72 Te21.53
• Calculated formula: Ge129.304 P42.64 Te21.536
• Title of publication: Cationic Clathrate of Type-III Ge172-xPxTey (y~ 21.5,x~ 2y): Synthesis, Crystal Structure and Thermoelectric Properties
• Authors of publication: Maria A. Kirsanova; Takao Mori; Satofumi Maruyama; Artem M. Abakumov; Gustaaf Van Tendeloo; Andrei Olenev; Andrei V. Shevelkov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8272 - 8279
• a: 19.948 ± 0.003 Å
• b: 19.948 ± 0.003 Å
• c: 10.44 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4154.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No