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Information card for entry 2109099
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| Coordinates | 2109099.cif |
|---|---|
| Structure factors | 2109099.hkl |
| Original IUCr paper | HTML |
| Common name | aluminophosphate oxocuprate |
|---|---|
| Chemical name | sodium alumonophosphate oxocuprate chloride |
| Formula | Al8 Cl7 Cu24 Li4.19 Na19.81 O105 P24 |
| Calculated formula | Al8 Cl7 Cu24 Li4.192 Na19.808 O105.004 P24 |
| Title of publication | (Na,Li)~3~(Cl,OH)[Cu~3~OAl(PO~4~)~3~]: a first salt-inclusion aluminophosphate oxocuprate with a new type of crystal structure |
| Authors of publication | Yakubovich, Olga V.; Kiriukhina, Galina V.; Simonov, Sergey V.; Volkov, Anatoly S.; Dimitrova, Olga V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 1 |
| Pages of publication | 24 - 31 |
| a | 13.3428 ± 0.0004 Å |
| b | 18.932 ± 0.0005 Å |
| c | 8.9404 ± 0.0002 Å |
| α | 90° |
| β | 90.361 ± 0.002° |
| γ | 90° |
| Cell volume | 2258.35 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 423 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.165 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281906 (current) | 2023-03-16 | cif/ hkl/ Adding structures of 2109099 via cif-deposit CGI script. |
2109099.cif 2109099.hkl |
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Users of the data should acknowledge the original authors of the
structural data.