Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 9013165
Preview
| Coordinates | 9013165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Mineral name | Gypsum |
|---|---|
| Formula | Ca H4 O6 S |
| Calculated formula | Ca O6 S |
| SMILES | [Ca]([OH2])[OH2].S(=O)(=O)([O-])[O-] |
| Title of publication | High-pressure behavior of gypsum: A single-crystal X-ray study Locality: Valle di Caramanico, Abruzzo, Italy Note: P = 0.25 GPa |
| Authors of publication | Comodi, P.; Nazzareni, S.; Zanazzi, P. F.; Speziale, S. |
| Journal of publication | American Mineralogist |
| Year of publication | 2008 |
| Journal volume | 93 |
| Pages of publication | 1530 - 1537 |
| a | 6.282 Å |
| b | 15.175 Å |
| c | 5.673 Å |
| α | 90° |
| β | 114.13° |
| γ | 90° |
| Cell volume | 493.548 Å3 |
| Ambient diffracton pressure | 250000 kPa |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287555 (current) | 2023-11-12 | cod/ (saulius@tasmanijos-velnias) Linking AMCSD entries to those COD records that had identical cell parameters, formula and bibliography, and identical atomic coordinates *after* determining atom types in AMCSD records using the 'cif_guess_AMCSD_atom_types' script from the r9700 of the ^/trunk in 'cod-tools' package repository [1]. Some COD entries matched several AMCSD entries; for those multiple related AMCSD entries were noted using the COD_RELATDE_ENTRY category, and multiple mineral names were inserted using the '_[local]_alternative_name_[]' datanames in a loop. Ref.: [1] Working Copy Root Path: /home/saulius/src/cod-tools URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools/trunk Relative URL: ^/trunk Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/cod-tools Repository UUID: 04be6746-3802-0410-999d-98508da1e98c Revision: 9701 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 9701 Last Changed Date: 2023-11-12 11:14:50 +0200 (Sun, 12 Nov 2023) |
9013165.cif |
| 200438 | 2017-09-11 | cif Fixing (or adding) some Z values and formulae to more sensible values |
9013165.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. |
9013165.cif |
| 120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9013165.cif |
| 85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9013165.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9013165.cif |
| 1210 | 2010-06-10 | cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers. |
9013165.cif |
| 1079 | 2010-04-11 | cif/9/ Adding identified new files from the AMCSD-resynchronisation-2009.06.24 directory. |
9013165.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.