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Information card for entry 7700001
Preview
| Coordinates | 7700001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-4-11 |
|---|---|
| Formula | F2 O9 Pb2 Ti4 |
| Calculated formula | F2 O9 Pb2 Ti4 |
| Title of publication | Anionic ordering in Pb2Ti4O9F2 revisited by nuclear magnetic resonance and density functional theory |
| Authors of publication | Oka, Kengo; Ichibha, Tom; Kato, Daichi; Noda, Yasuto; Tominaga, Yusuke; Yamada, Kosei; Iwasaki, Mitsunobu; Noma, Naoki; Hongo, Kenta; Maezono, Ryo; Reboredo, Fernando A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| Journal volume | 51 |
| Journal issue | 40 |
| Pages of publication | 15361 - 15369 |
| a | 14.626 ± 0.001 Å |
| b | 3.82787 ± 0.00009 Å |
| c | 10.7526 ± 0.0008 Å |
| α | 90° |
| β | 135.577 ± 0.003° |
| γ | 90° |
| Cell volume | 421.37 ± 0.05 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.01603 |
| RFsqd | 0.01699 |
| Residual factor R(I) for significantly intense reflections | 0.01893 |
| Goodness-of-fit parameter for all reflections | 3.9726 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.42045 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1126 (current) | 2025-07-01 | cif/ hkl/ Adding structures of 7700001 via cif-deposit CGI script. |
7700001.cif |
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