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Information card for entry 2239136
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| Coordinates | 2239136.cif |
|---|---|
| Structure factors | 2239136.hkl |
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Sodium potassium trialuminium tetrakis(orthoarsenate) |
|---|---|
| Formula | Al3 As4 K1.33 Na1.67 O16 |
| Calculated formula | Al3 As4 K1.326 Na1.674 O16 |
| Title of publication | The aluminoarsenate Na~1.67~K~1.33~Al~3~(AsO~4~)~4~ |
| Authors of publication | Bouhassine, Mohamad Alem; Boughzala, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | i6 |
| a | 10.493 ± 0.001 Å |
| b | 20.395 ± 0.004 Å |
| c | 6.335 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1355.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287588 (current) | 2023-11-14 | cod/ (saulius@tasmanijos-velnias) Adding AMCSD links for those COD files that match exactly after corrections of symmetry information. |
2239136.cif 2239136.hkl |
| 287558 | 2023-11-12 | cod/ (saulius@tasmanijos-velnias) Re-estimating space group symbols for those COD entries that have different space group symbols compared to the new AMCSD collection. IN most cases just the space group designators changed, but a few cases will have to be checked by hand. Command: tail -n +3 outputs/amcsd-cod-spacegroup-updates.tsv | awk '{print $4}' | xargs -i bash -c 'F=$(codid2file {}); echo === {} ===; cif_filter --add-cif-header $F --estimate-spacegroup $F | sponge $F' |
2239136.cif 2239136.hkl |
| 181891 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239136.cif 2239136.hkl |
| 181310 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/91. |
2239136.cif 2239136.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2239136.cif 2239136.hkl |
| 105025 | 2014-03-11 | cif/ hkl/ Adding structures of 2239136 via cif-deposit CGI script. |
2239136.cif 2239136.hkl |
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Users of the data should acknowledge the original authors of the
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