Information card for entry 1519021

Structure parameters

• Formula: Ca Na2 O7 P2
• Calculated formula: Ca Na2 O7 P2
• SMILES: P(=O)([O-])([O-])OP(=O)([O-])[O-].[Na+].[Ca+2].[Na+]
• Title of publication: Synthesis and crystal structure of Na2CaP2O7
• Authors of publication: Bennazha, J.; Boukhari, A.; Holt, E. M.
• Journal of publication: Solid State Sciences
• Year of publication: 1999
• Journal volume: 1
• Pages of publication: 373 - 380
• a: 5.361 ± 0.003 Å
• b: 7.029 ± 0.003 Å
• c: 8.743 ± 0.004 Å
• α: 69.4 ± 0.02°
• β: 89.02 ± 0.03°
• γ: 88.78 ± 0.04°
• Cell volume: 308.3 ± 0.3 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No