Information card for entry 2105489

Structure parameters

• Common name: tetralithium hypodiphosphate hexahydrate
• Formula: H12 Li4 O12 P2
• Calculated formula: H12 Li4 O12 P2
• SMILES: P(=O)(P(=O)([O-])[O-])([O-])[O-].O.O.O.O.O.O.[Li+].[Li+].[Li+].[Li+]
• Title of publication: Electron density distribution in tetralithium hypodiphosphate hexahydrate, Li~4~P~2~O~6~·6H~2~O
• Authors of publication: Kinzhybalo, Vasyl; Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemysław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 344 - 355
• a: 12.7 ± 0.003 Å
• b: 12.7 ± 0.003 Å
• c: 12.7 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2048.4 ± 0.8 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for all reflections included in the refinement: 0.013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.723
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No