Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 9016174
Preview
| Coordinates | 9016174.cif |
|---|---|
| External links | AMCSD |
| Mineral name | Schorl |
|---|---|
| Formula | Al3.42 B3 Ca0.01 Fe3.828 H3.6 Mg1.269 Na0.99 O31 Si6 Ti0.402 V0.021 |
| Calculated formula | Al3.42 B3 Ca0.01 Fe3.828 H3.6 Mg1.269 Na0.99 O31 Si6 Ti0.402 V0.021 |
| Title of publication | Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl 2672 |
| Authors of publication | Grice, J. D.; Ercit, T. S. |
| Journal of publication | Neues Jahrbuch fur Mineralogie, Abhandlungen |
| Year of publication | 1993 |
| Journal volume | 165 |
| Pages of publication | 245 - 266 |
| a | 16.073 Å |
| b | 16.073 Å |
| c | 7.306 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1634.57 Å3 |
| Number of distinct elements | 11 |
| Space group number | 160 |
| Hermann-Mauguin space group symbol | R 3 m :H |
| Hall space group symbol | R 3 -2" |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283960 (current) | 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. |
9016174.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. |
9016174.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. |
9016174.cif |
| 86000 | 2013-05-09 | cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD. |
9016174.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.