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Information card for entry 2310745
Preview
| Coordinates | 2310745.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Fe0.571 La3.429 O11.429 Ti2.858 |
|---|---|
| Calculated formula | Fe0.9544 La3.4288 O11.4288 Ti1.34 |
| Title of publication | Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6) |
| Authors of publication | Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander |
| Journal of publication | Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | 137 - 144 |
| a | 7.8302 ± 0.0019 Å |
| b | 5.2737 ± 0.0016 Å |
| c | 5.5518 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90.001 ± 0.018° |
| Cell volume | 229.26 ± 0.12 Å3 |
| Cell temperature | 250 K |
| Ambient diffraction temperature | 250 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 (2*c,2*a+c,b) |
| Hall space group symbol | -P 2ybc (-1/4*x+1/2*z,1/2*x,y) |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for significantly intense reflections | 3.32 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.22 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201407 (current) | 2017-09-28 | cif/2/31/07/ Updating bibliography in entries 2310735-2310748. |
2310745.cif |
| 160845 | 2015-10-07 | cif/ Adding structures of 2310735, 2310736, 2310737, 2310738, 2310739, 2310740, 2310741, 2310742, 2310743, 2310744, 2310745, 2310746, 2310747, 2310748 via cif-deposit CGI script. |
2310745.cif |
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Users of the data should acknowledge the original authors of the
structural data.