Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 9012081
Preview
| Coordinates | 9012081.cif |
|---|---|
| External links | AMCSD |
| Mineral name | Parabutlerite |
|---|---|
| Formula | Fe H5 O7 S |
| Calculated formula | Fe O7 S |
| SMILES | [Fe]1([OH2])([OH2])[OH][Fe]([OH2])([OH2])(OS(=O)(=O)O1)(OS(=O)(=O)[O-])O |
| Title of publication | Structure cristalline de la parabutlerite |
| Authors of publication | Borene, J. |
| Journal of publication | Bulletin de la Societe Francaise de Mineralogie et de Cristallographie |
| Year of publication | 1970 |
| Journal volume | 93 |
| Pages of publication | 185 - 189 |
| a | 7.38 Å |
| b | 20.13 Å |
| c | 7.22 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1072.6 Å3 |
| Number of distinct elements | 4 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P m n b |
| Hall space group symbol | -P 2bc 2a |
| 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) |
9012081.cif |
| 200438 | 2017-09-11 | cif Fixing (or adding) some Z values and formulae to more sensible values |
9012081.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. |
9012081.cif |
| 85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9012081.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9012081.cif |
| 1210 | 2010-06-10 | cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers. |
9012081.cif |
| 1071 | 2010-04-10 | cif/9/ Updating COD entries from AMCSD, processed in the AMCSD-resynchronisation-2009.06.24/ directory. Entries are updated if they could be unambiguously mapped to a unique COD number by automatic search scripts in AMCSD-resynchronisation-2009.06.24/. |
9012081.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
9012081.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
9012081.cif |
| 649 | 2009-04-18 | Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/. |
9012081.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.