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Information card for entry 7134976
Preview
| Coordinates | 7134976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Calcium nitridomanganate oxide |
|---|---|
| Formula | Ca6 Mn2 N6 O |
| Calculated formula | Ca6 Mn2 N6 O |
| Title of publication | Multiple bonding in unbridged Mn-Mn dimers of solid-state nitridomanganate(IV) oxide Ca6[Mn2N6]O |
| Authors of publication | Buschmann, Niklas; Werhahn, Dominik; Steinberg, Simon; Ritter, Clemens; Attfield, Paul; Kloß, Simon D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.95635 ± 0.00012 Å |
| b | 8.95635 ± 0.00012 Å |
| c | 9.25969 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 643.264 ± 0.016 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor R(I) for significantly intense reflections | 0.023 |
| Goodness-of-fit parameter for all reflections | 0.015 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.559538 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302075 (current) | 2025-09-10 | cif/ Adding structures of 7134975, 7134976 via cif-deposit CGI script. |
7134976.cif |
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