Information card for entry 7706153

Structure parameters

• Common name: nickel diphosphate hydrate
• Chemical name: dinickel diphosphate dihydrate
• Formula: H4 Ni2 O9 P2
• Calculated formula: H4 Ni2 O9 P2
• Title of publication: Crystal structure and thermodynamic properties of dinickel diphosphate dihydrate Ni₂(H₂O)₂[P₂O₇].
• Authors of publication: Kiriukhina, Galina V.; Yakubovich, Olga V.; Shvanskaya, Larisa V.; Ovchenkov, Yevgeniy A.; Volkov, Anatoly S.; Dimitrova, Olga V.; Simonov, Sergey V.; Vasiliev, Alexander N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 47
• Pages of publication: 17368 - 17374
• a: 6.2517 ± 0.0001 Å
• b: 13.7892 ± 0.0003 Å
• c: 7.2894 ± 0.0002 Å
• α: 90°
• β: 94.507 ± 0.002°
• γ: 90°
• Cell volume: 626.45 ± 0.02 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No