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Information card for entry 2236705
Preview
Coordinates | 2236705.cif |
---|---|
Structure factors | 2236705.hkl |
Original IUCr paper | HTML |
Common name | Durangite |
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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
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