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Information card for entry 4003426
Preview
| Coordinates | 4003426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239742 (current) | 2019-11-25 | cif/ Adding structures of 4003426 via cif-deposit CGI script. |
4003426.cif |
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Users of the data should acknowledge the original authors of the
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