Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1000489
Preview
| Coordinates | 1000489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Hexalithium cyclo-hexaphosphate trihydrate |
|---|---|
| Formula | H6 Li6 O21 P6 |
| Calculated formula | H6 Li6 O21 P6 |
| Title of publication | X-ray powder structure determination of Li~6~P~6~O~18~ · 3H~2~O |
| Authors of publication | Toumi, M.; Hlel, F.; Ben Chaabane, T.; Smiri, L.; Laligant, Y.; Emery, J. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 35 |
| Journal issue | 10-11 |
| Pages of publication | 689 - 697 |
| a | 15.7442 ± 0.0002 Å |
| b | 15.7442 ± 0.0002 Å |
| c | 12.5486 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2693.8 Å3 |
| Number of distinct elements | 4 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.09 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186542 (current) | 2016-09-13 | cif/ Reducing the number of attached hydrogens for O atoms since the hydrogen atoms in question are explicitly described in the coordinate block. |
1000489.cif |
| 182184 | 2016-04-17 | cif/1/00/ (antanas@kurmis) Updating bibliography for entry 1000486, 1000487, 1000488, 1000489. |
1000489.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1000489.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1000489.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000489.cif |
| 1063 | 2010-03-31 | cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst| awk '{print "../"substr($1,0,1)"/"$1".cif"}'| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards. |
1000489.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. |
1000489.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
1000489.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/' |
1000489.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000489.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. |
1000489.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) |
1000489.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.