Information card for entry 8103187

Structure parameters

• Formula: H4 Hf2 Li O14 P3
• Calculated formula: H4.02 Hf2 Li O14 P3
• Title of publication: Crystal structure of a lithium-filled langbeinite variant, Li(H2O)2[Hf2(PO4)3]
• Authors of publication: Shuang Chen; Stefan Hoffmann; Horst Borrmann; Rüdiger Kniep
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 299
• a: 10.1993 ± 0.0002 Å
• b: 10.1993 ± 0.0002 Å
• c: 10.1993 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1060.99 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56089 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No