Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1010113
Preview
| Coordinates | 1010113.cif |
|---|---|
| External links | AMCSD; ChemSpider |
| Chemical name | Barium peroxide |
|---|---|
| Formula | Ba O2 |
| Calculated formula | Ba O2 |
| SMILES | [Ba+2].[O-][O-] |
| Title of publication | The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~ |
| Authors of publication | Bernal, J D; Djatlowa, E; Kasarnowsky, P; Reichstein, S; Ward, A G |
| Journal of publication | Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) |
| Year of publication | 1935 |
| Journal volume | 92 |
| Pages of publication | 344 - 354 |
| a | 3.78 Å |
| b | 3.78 Å |
| c | 6.77 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 96.7 Å3 |
| Number of distinct elements | 2 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202026 (current) | 2017-10-16 | cif/ Marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop. |
1010113.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1010113.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1010113.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1010113.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. |
1010113.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/' |
1010113.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1010113.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. |
1010113.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) |
1010113.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.