Information card for entry 4126398

Structure parameters

• Common name: Berkelium(III) iodate
• Formula: Bk2 I6 O18
• Calculated formula: Bk2 I6 O18
• Title of publication: Departure from a Spherically Symmetric Ground State in a System with a Half-filled Shell: The Case Example of Berkelium(IV) Iodate.
• Authors of publication: Silver, Mark A.; Cary, Samantha K.; Garza, Alejandro J.; Baumbach, Ryan E.; Arico, Alexandra A.; Galmin, Gregory A.; Chen, Kuan-Wen; Johnson, Jason A.; Wang, Jamie C.; Clark, Ronald J.; Chemey, Alexander; Eaton, Teresa M.; Marsh, Matthew L.; Seidler, Kevin; Galley, Shane S.; van de Burgt, Lambertus; Gray, Ashley L.; Hobart, David E.; Hanson, Kenneth; van Cleve, Shelley M.; Gendron, Frédéric; Autschbach, Jochen; Scuseria, Gustavo E.; Maron, Laurent; Speldrich, Manfred; Kögerler, Paul; Celis-Barros, Cristian; Paéz-Hernandéz, Dayán; Arratia-Perez, Ramiro; Ruf, Michael; Albrecht-Schmitt, Thomas E
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.7475 ± 0.0004 Å
• b: 5.9029 ± 0.0003 Å
• c: 15.0832 ± 0.0007 Å
• α: 90°
• β: 96.8723 ± 0.0008°
• γ: 90°
• Cell volume: 773.23 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No