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Information card for entry 9000595
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| Coordinates | 9000595.cif |
|---|---|
| External links | AMCSD |
| Mineral name | Pyrite |
|---|---|
| Formula | Fe S2 |
| Calculated formula | Fe S2 |
| SMILES | [Fe+2].[S-][S-] |
| Title of publication | Crystal structure refinement of a weakly anisotropic pyrite |
| Authors of publication | Bayliss, P. |
| Journal of publication | American Mineralogist |
| Year of publication | 1977 |
| Journal volume | 62 |
| Pages of publication | 1168 - 1172 |
| a | 5.4166 Å |
| b | 5.4166 Å |
| c | 5.4166 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 158.921 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 |
|---|---|---|---|
| 291269 (current) | 2024-04-18 | cif/9: Inserting Z values for entries in the 9 range |
9000595.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. |
9000595.cif |
| 86002 | 2013-05-09 | cif/ (saulius@koala.ibt.lt) Adding the new AMCSD database code assignment ot the 'ref-matching' CIFs. |
9000595.cif |
| 85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9000595.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9000595.cif |
| 1210 | 2010-06-10 | cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers. |
9000595.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. |
9000595.cif |
| 255 | 2008-03-10 | Redepositing all AMCSD (9*series) COD CIF files. This redeposition regenerates AMCSD (9* series) files, 10011 entries total, from the original source CIF file cifdata.cif found on the CD received from Armel. Most importantly, the truncated formulas seem to be corrected. The files are not folded, i.e. they have lines longer than 80 characters (conforming CIF 1.1 specification, but not CIF 1.0 specification), and are otherwise syntactically correct. Some missing coordinates were fixed manually, restoring them from the AMCSD site, and non-ASCII symbols were fixed automatically during filtering. After the redeposition, the cifs-with-errors.lst was regenerated using the following command: find -name \*.cif \ | xargs -n1 -iI sh -c 'vcif -l 2048 I || echo I' \ | grep -vE 'CIF|ERR' \ | sort > cifs-with-errors.lst & |
9000595.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
9000595.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
9000595.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
9000595.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
9000595.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.