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Information card for entry 2236705
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| Coordinates | 2236705.cif |
|---|---|
| Structure factors | 2236705.hkl |
| Original IUCr paper | HTML |
| Common name | Durangite |
|---|---|
| Chemical name | Sodium aluminium arsenate fluoride |
| Formula | Al0.91 As F0.73 Fe0.09 H0.27 Li0.05 Na0.95 O4.27 |
| Calculated formula | Al0.91 As F0.73 Fe0.09 Li0.05 Na0.95 O4.27 |
| Title of publication | Redetermination of durangite, NaAl(AsO~4~)F |
| Authors of publication | Downs, Gordon W.; Yang, Betty N.; Thompson, Richard M.; Wenz, Michelle D.; Andrade, Marcelo B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | i86 - i87 |
| a | 6.5789 ± 0.0005 Å |
| b | 8.5071 ± 0.0006 Å |
| c | 7.0212 ± 0.0005 Å |
| α | 90° |
| β | 115.447 ± 0.004° |
| γ | 90° |
| Cell volume | 354.83 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0126 |
| Residual factor for significantly intense reflections | 0.0125 |
| Weighted residual factors for significantly intense reflections | 0.0325 |
| Weighted residual factors for all reflections included in the refinement | 0.0326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181289 (current) | 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 2/23/67. |
2236705.cif 2236705.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236705.cif 2236705.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236705.cif 2236705.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236705.cif 2236705.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236705.cif 2236705.hkl |
| 70305 | 2012-12-21 | cif/ Adding structures of 2236705 via cif-deposit CGI script. |
2236705.cif |
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Users of the data should acknowledge the original authors of the
structural data.