Information card for entry 1562566

Structure parameters

• Common name: thorium germanium selenide
• Chemical name: dithorium(IV) germanium(II) pentaselenide
• Formula: Ge Se5 Th2
• Calculated formula: Ge Se5 Th2
• Title of publication: The synthesis, single-crystal structure, optical absorption, and resistivity of Th2GeSe5
• Authors of publication: Koscielski, Lukasz A.; Malliakas, Christos D.; Sarjeant, Amy A.; Ibers, James A.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 205
• Pages of publication: 35 - 38
• a: 7.4968 ± 0.0004 Å
• b: 7.4968 ± 0.0004 Å
• c: 13.6302 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 766.04 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.611
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No