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Information card for entry 9015059
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| Coordinates | 9015059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Mineral name | Schwertmannite |
|---|---|
| Formula | Fe O2 |
| Calculated formula | Fe O2 |
| SMILES | [O-2].[O-2].[O-2].[O-2].[OH-].[OH-].S(=O)(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].O.O.O |
| Title of publication | The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined |
| Authors of publication | Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C. |
| Journal of publication | American Mineralogist |
| Year of publication | 2010 |
| Journal volume | 95 |
| Pages of publication | 1312 - 1322 |
| a | 10.821 Å |
| b | 6.002 Å |
| c | 10.514 Å |
| α | 90° |
| β | 92.6° |
| γ | 90° |
| Cell volume | 682.157 Å3 |
| Number of distinct elements | 2 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294031 (current) | 2024-08-07 | Automatically deduplicating atom labels using the 'cif_fix_AMCSD_atom_labels' script from the branch of 'cod-tools' [1]. There are still 34 COD entries for which _atom_site_aniso_label values could not be fixed; these will be fixed manually in later commits. Ref.: [1] Working Copy Root Path: /home/saulius/src/cod-tools URL: svn://cod.ibt.lt/cif-tools/branches/experiment/saulius-AMCSD-fix-aniso-labels Relative URL: ^/branches/experiment/saulius-AMCSD-fix-aniso-labels Repository Root: svn://cod.ibt.lt/cif-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 10224 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 10224 Last Changed Date: 2024-08-07 14:09:31 +0300 (Wed, 07 Aug 2024) cod/ (saulius@tasmanijos-velnias) |
9015059.cif |
| 292002 | 2024-05-23 | Inserting missing Z values into entries of range 9 |
9015059.cif |
| 201816 | 2017-10-06 | cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop. |
9015059.cif |
| 120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9015059.cif |
| 86000 | 2013-05-09 | cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD. |
9015059.cif |
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Users of the data should acknowledge the original authors of the
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