Information card for entry 4515175

Structure parameters

• Formula: Co O2 Pd
• Calculated formula: Co3 O6 Pd3
• Title of publication: In Situ Modification of a Delafossite-Type PdCoO₂ Bulk Single Crystal for Reversible Hydrogen Sorption and Fast Hydrogen Evolution.
• Authors of publication: Li, Guowei; Khim, Seunghyun; Chang, Celesta S.; Fu, Chenguang; Nandi, Nabhanila; Li, Fan; Yang, Qun; Blake, Graeme R.; Parkin, Stuart; Auffermann, Gudrun; Sun, Yan; Muller, David A.; Mackenzie, Andrew P.; Felser, Claudia
• Journal of publication: ACS energy letters
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 2185 - 2191
• a: 2.845 ± 0.003 Å
• b: 2.845 ± 0.003 Å
• c: 17.88 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 125.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No