Information card for entry 4000712

Structure parameters

• Chemical name: diammonium hypodiphosphate
• Formula: H10 N2 O6 P2
• Calculated formula: H10 N2 O6 P2
• SMILES: [O-]P(P(O)([O-])=O)(O)=O.[NH4+].[NH4+]
• Title of publication: Discovery of Ferroelectric Properties in Diammonium Hypodiphosphate (NH4)2H2P2O6(ADhP)
• Authors of publication: Szklarz, Przemysław; Chański, Michał; Ślepokura, Katarzyna; Lis, Tadeusz
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1082
• a: 7.237 ± 0.003 Å
• b: 11.484 ± 0.004 Å
• c: 9.373 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 779 ± 0.5 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No