Information card for entry 4329742

Structure parameters

• Common name: Praseodymium(III) Borate Iodide
• Formula: B5 I O11 Pr
• Calculated formula: B5 I O11 Pr
• Title of publication: Effects of Large Halides on the Structures of Lanthanide(III) and Plutonium(III) Borates
• Authors of publication: Matthew J. Polinski; Shuao Wang; Justin N. Cross; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7859 - 7866
• a: 6.4877 ± 0.001 Å
• b: 15.392 ± 0.002 Å
• c: 10.6857 ± 0.0016 Å
• α: 90°
• β: 90.254 ± 0.002°
• γ: 90°
• Cell volume: 1067 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No