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Information card for entry 9016345
Preview
| Coordinates | 9016345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Mineral name | Dravite |
|---|---|
| Formula | Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 |
| Calculated formula | Al5.68 B3 Cr0.315 Fe0.635 H3 Mg2.001 Na0.96 Ni0.158 O31 Si6 Ti0.039 V0.031 |
| Title of publication | Dissymmetrization in tourmaline: the atomic arrangement of sectorally zoned triclinic Ni-bearing dravite |
| Authors of publication | Hughes, J. M.; Rakovan, J.; Ertl, A.; Rossman, G. R.; Baksheev, I.; Bernhardt, H.-J. |
| Journal of publication | The Canadian Mineralogist |
| Year of publication | 2011 |
| Journal volume | 49 |
| Pages of publication | 29 - 40 |
| a | 15.903 Å |
| b | 15.9118 Å |
| c | 7.2304 Å |
| α | 90.063° |
| β | 89.793° |
| γ | 119.742° |
| Cell volume | 1588.59 Å3 |
| Number of distinct elements | 12 |
| 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 |
|---|---|---|---|
| 294032 (current) | 2024-08-07 | Manually correcting the _atom_site_aniso_label values (consulting AMCSD). cod/ (saulius@tasmanijos-velnias) |
9016345.cif |
| 294031 | 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) |
9016345.cif |
| 283960 | 2023-05-23 | cif/9/ (saulius@tasmanijos-velnias) Estimating atom types and attached hydrogen counts for all range 9 COD entries. Atom types and hydrogen counts for about 170 entries were adjusted manually after running 'cif_guess_AMCSD_atom_types'. Commiting only those entries where declared and calculated summary formulae are matching exactly. To get the reduced formula, the Z value was estimated with 'cif_estimate_Z' after atom type adjustment. NB.: some files still do not contain the Z value, since the Z that was written into the files was estimated before the atom type correction was made, not after. The Z values will be recomputed once more after the atom types are checked in. |
9016345.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. |
9016345.cif |
| 176465 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 9. |
9016345.cif |
| 120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9016345.cif |
| 86000 | 2013-05-09 | cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD. |
9016345.cif |
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Users of the data should acknowledge the original authors of the
structural data.