Information card for entry 2015107

Structure parameters

• Chemical name: Dipotassium copper(II) bis(dihydrogendiphosphate) dihydrate
• Formula: Cu H8 K2 O16 P4
• Calculated formula: Cu H8 K2 O16 P4
• SMILES: [Cu]12(OP(=O)(OP(=O)(O)O1)O)([OH2])([OH2])OP(=O)(OP(=O)(O)O2)O.[K+].[K+]
• Title of publication: K~2~<i>M</i>(H~2~P~2~O~7~)~2~·2H~2~O (<i>M</i> = Ni, Cu, Zn): orthorhombic forms and Raman spectra
• Authors of publication: Essehli, Rachid; El Bali, Brahim; Alaoui Tahiri, Aziz; Lachkar, Mohammed; Manoun, Bouchaib; Dušek, Michal; Fejfarova, Karla
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: i120 - i124
• a: 9.9128 ± 0.0004 Å
• b: 10.783 ± 0.0003 Å
• c: 13.4209 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1434.56 ± 0.09 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes