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Information card for entry 7718270
Preview
| Coordinates | 7718270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca0.44 Ga1.33 Na0.44 S2.67 |
|---|---|
| Calculated formula | Ca0.444444 Ga1.33333 Na0.444444 S2.66667 |
| Title of publication | NaCaGa3S6: A Mixed Alkali Metal and Alkaline Earth Metal Sulfide with a Distinctive [Ga5S10]∞ Layered Framework |
| Authors of publication | Chen, Jiale; Zhou, Haipeng; Sha, Huimin; Liu, Jinfeng; Zhu, Xiu; Xu, Guisheng; Wang, Jiankang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 6.9613 ± 0.0005 Å |
| b | 14.6439 ± 0.0009 Å |
| c | 20.1221 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2051.3 ± 0.2 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0387 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298297 (current) | 2025-03-06 | cif/ Adding structures of 7718270 via cif-deposit CGI script. |
7718270.cif |
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