Information card for entry 8103047

Structure parameters

• Chemical name: praseodymium thioborate, Pr[BS~3~]
• Formula: B Pr S3
• Calculated formula: B Pr S3
• Title of publication: Refinement of the crystal structure of praseodymium trithioborate, Pr[BS3], single crystal data
• Authors of publication: Jens Hunger; Marija Borna; Rüdiger Kniep
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 217
• a: 7.5434 ± 0.0008 Å
• b: 6.013 ± 0.0005 Å
• c: 8.8859 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 403.05 ± 0.07 ų
• Cell temperature: 295.15 K
• Ambient diffraction temperature: 295.15 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No