Information card for entry 4003426

Structure parameters

• Formula: C2 N O17 P4 Ti2
• Calculated formula: C2 N O17 P4 Ti2
• Title of publication: Characterization of Layered γ-Titanium Phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2·H2O Intercalate: A Combined NMR, Synchrotron XRD, and DFT Calculations Study
• Authors of publication: Mafra, Luís; Rocha, João; Fernandez, Christian; Castro, Germán R.; García-Granda, Santiago; Espina, Aranzazu; Khainakov, Sergei A.; García, José R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 3944
• a: 5.1126 ± 0.0001 Å
• b: 6.3189 ± 0.0002 Å
• c: 12.0396 ± 0.0005 Å
• α: 100.931 ± 0.002°
• β: 97.211 ± 0.002°
• γ: 90.683 ± 0.003°
• Cell volume: 378.62 ± 0.02 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• RFsqd: 0.08421
• Goodness-of-fit parameter for all reflections: 0.5
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.82648 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No