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Information card for entry 3000246
Preview
| Coordinates | 3000246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca3 H3.4 Si3 |
|---|---|
| Calculated formula | Ca3 H3.4 Si3 |
| Title of publication | Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3) |
| Authors of publication | Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 106 |
| a | 14.6356 ± 0.001 Å |
| b | 3.81207 ± 0.00015 Å |
| c | 11.2115 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 625.51 ± 0.06 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor R(I) for significantly intense reflections | 4.4 |
| Goodness-of-fit parameter for all reflections | 1.94 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54059 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219316 (current) | 2019-10-13 | cif/ Updating files of 3000246 Original log message: Releasing structure 3000246 into public domain as published material. |
3000246.cif |
| 215540 | 2019-05-26 | cif/ Adding structures of 3000246 via cif-deposit CGI script. |
3000246.cif |
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Users of the data should acknowledge the original authors of the
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