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Information card for entry 3000243
Preview
| Coordinates | 3000243.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Mineral name | Moissanite 6O SiC |
|---|---|
| Formula | C Si |
| Calculated formula | C Si |
| Title of publication | Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype |
| Authors of publication | El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia |
| Journal of publication | Scientific Reports |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 1 |
| Pages of publication | 7562 |
| a | 3.0778 ± 0.0006 Å |
| b | 5.335 ± 0.0014 Å |
| c | 15.1219 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 248.3 ± 0.08 Å3 |
| Cell temperature | 291.66 K |
| Ambient diffraction temperature | 291.66 K |
| Number of distinct elements | 2 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections included in the refinement | 0.0442 |
| Goodness-of-fit parameter for significantly intense reflections | 3.81 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251946 (current) | 2020-05-11 | cif/3/00/02/ Changed the Z value from 1 to 12 and the summary chemical formula from 'C12 Si12' to 'C Si' in entry 3000243. |
3000243.cif |
| 251945 | 2020-05-11 | cif/3/00/02/ Changed the bibliography in entry 3000243 to refer to the peer-reviewed publication that the structure was published in. |
3000243.cif |
| 218834 | 2019-09-25 | cif/ Updating files of 3000243 Original log message: Releasing structure 3000243 into public domain as personal communication to COD. |
3000243.cif |
| 218833 | 2019-09-25 | cif/ Updating files of 3000243 Original log message: Extending hold period by 4 months (from 2019-10-23 to 2020-02-23) |
3000243.cif |
| 215453 | 2019-05-23 | cif/ Updating files of 3000243 Original log message: 6O SiC'added to _chemical_name_mineral |
3000243.cif |
| 215452 | 2019-05-23 | cif/ Adding structures of 3000243 via cif-deposit CGI script. |
3000243.cif |
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Users of the data should acknowledge the original authors of the
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