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Information card for entry 1556759
Preview
| Coordinates | 1556759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ni Se5 Ta2 |
|---|---|
| Calculated formula | Ni Se5 Ta2 |
| Title of publication | Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>. |
| Authors of publication | Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi |
| Journal of publication | IUCrJ |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | Pt 2 |
| Pages of publication | 158 - 165 |
| a | 3.437 ± 0.001 Å |
| b | 5.849 ± 0.011 Å |
| c | 15.512 ± 0.001 Å |
| α | 90° |
| β | 90.53 ± 0.01° |
| γ | 90° |
| Cell volume | 311.8 ± 0.6 Å3 |
| Cell temperature | 50 ± 2 K |
| Ambient diffraction temperature | 50 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.413 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245731 (current) | 2019-12-25 | cif/ Adding structures of 1556756, 1556757, 1556758, 1556759 via cif-deposit CGI script. |
1556759.cif |
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Users of the data should acknowledge the original authors of the
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