Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7201319
Preview
| Coordinates | 7201319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | ? |
|---|---|
| Calculated formula | B8 H30 Mg4 |
| Title of publication | A new phase in the decomposition of Mg(BH4)2: first-principles simulated annealing |
| Authors of publication | van Setten, M. J.; Lohstroh, W.; Fichtner, M. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2009 |
| Journal volume | 19 |
| Journal issue | 38 |
| Pages of publication | 7081 |
| a | 8.09343282437363 ± 0.00000000000001 Å |
| b | 8.18062472224761 ± 0.00000000000001 Å |
| c | 10.3145651551054 ± 0.0000000000001 Å |
| α | 90 ± 1° |
| β | 90.9203 ± 0.000000000001° |
| γ | 90 ± 1° |
| Cell volume | 682.832 ± 0.000000000007 Å3 |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Method of determination | theoretical |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183979 (current) | 2016-06-27 | cif/7/20/13/ Marking entries 7201318--7201322 as theoretical according to the original publication. |
7201319.cif |
| 180344 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/13. |
7201319.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201319.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201319.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201319.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.