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Information card for entry 2108050
Preview
| Coordinates | 2108050.cif |
|---|---|
| Structure factors | 2108050.hkl |
| Original paper (by DOI) | HTML |
| Formula | C2 Ca K0.36 Na1.64 O6 |
|---|---|
| Calculated formula | C2 Ca K0.36 Na1.64 O6 |
| Title of publication | Incommensurately modulated twin structure of nyerereite Na~1.64~K~0.36~Ca(CO~3~)~2~ |
| Authors of publication | Bolotina, Nadezhda B.; Gavryushkin, Pavel N.; Korsakov, Andrey V.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Golovin, Alexander V.; Moine, Bertrand N.; Zaitsev, Anatoly N.; Litasov, Konstantin D. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 276 - 284 |
| a | 5.062 ± 0.0004 Å |
| b | 8.79 ± 0.0007 Å |
| c | 12.744 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 567.04 ± 0.09 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.323 |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for significantly intense reflections | 1.39 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199044 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2108050 via cif-deposit CGI script. |
2108050.cif 2108050.hkl |
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Users of the data should acknowledge the original authors of the
structural data.