Information card for entry 3000012

Structure parameters

• Common name: tetrapotassium pyrophosphate
• Formula: K4 O7 P2
• Calculated formula: K4 O7 P2
• SMILES: O=P(OP(=O)([O-])[O-])([O-])[O-].[K+].[K+].[K+].[K+]
• Title of publication: Tetrapotassium pyrophosphates gamma and delta-K4P2O7
• Authors of publication: Armel Le Bail; Thomas Hansen; Wilson A. Crichton
• Journal of publication: Powder Diffraction
• Year of publication: 2013
• Journal volume: 28
• Pages of publication: 2 - 12
• a: 6.0117 ± 0.0004 Å
• b: 6.0117 ± 0.0004 Å
• c: 14.6215 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 457.63 ± 0.05 ų
• Cell temperature: 870 K
• Ambient diffraction temperature: 870 K
• Number of distinct elements: 3
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor R(I) for significantly intense reflections: 3.21
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: X-ray
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No