Information card for entry 4001394

Structure parameters

• Chemical name: Calcium catena-polyphosphate
• Formula: Ca O6 P2
• Calculated formula: Ca O6 P2
• Title of publication: Synthesis, Crystal Structure, and Characterization (Vibrational and Solid-State31P MAS NMR Spectroscopy) of the High-Temperature Modification of Calciumcatena-Polyphosphate(V)
• Authors of publication: Weil, Matthias; Puchberger, Michael; Schmedt auf der Günne, Jörn; Weber, Johannes
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5067
• a: 13.6835 ± 0.0014 Å
• b: 19.981 ± 0.002 Å
• c: 6.7535 ± 0.0007 Å
• α: 90°
• β: 94.514 ± 0.002°
• γ: 90°
• Cell volume: 1840.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No