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Information card for entry 1000039
Preview
| Coordinates | 1000039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Calcium cyclo-hexaaluminate |
|---|---|
| Formula | Al6 Ca9 O18 |
| Calculated formula | Al6 Ca9 O18 |
| Title of publication | The crystal structure of tricalcium aluminate, Ca~3~ Al~2~ O~6~ |
| Authors of publication | Mondal, P; Jeffery, J W |
| Journal of publication | Acta Crystallographica B (24,1968-38,1982) |
| Year of publication | 1975 |
| Journal volume | 31 |
| Pages of publication | 689 - 697 |
| a | 15.263 ± 0.003 Å |
| b | 15.263 ± 0.003 Å |
| c | 15.263 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3555.7 Å3 |
| Number of distinct elements | 3 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.051 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1000039.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1000039.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000039.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. |
1000039.cif |
| 900 | 2009-11-21 | cif/ Renaming data blocks of all COD CIFs so that they have COD number (taken from the COD file name) as their datablock number: find ? -name \*.cif \ | xargs \ perl \ -MFile::Basename \ -i \ -lpe 's/^data_([^\s]*)/"data_".basename($ARGV, ".cif")/e' After this change, 'cif2cod' will give correct keys in the generated table. Also, data block names are guaranteed to be distinct, so any subset of COD CIFs can be concatenated into one file without introducing ambiguity. |
1000039.cif |
| 259 | 2008-03-10 | 10 files corrected. 2 of them 1100680.cif and 1100930.cif contained more than one structure. Only the first one is kept, the other have been placed at my home directory. There are also files with duplicated bibliography. Email Salius about the best way to proceed with them. |
1000039.cif |
| 20 | 2008-01-26 | Removing white space at the end of all lines from all COD CIF files: in the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\s+\n$/\n/' |
1000039.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/' |
1000039.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000039.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. |
1000039.cif |
| 10 | 2008-01-04 | BUG FIX: renaming all CIF files that had extension with all capital letters (.CIF) into files written in all lowercase (.cif). On Linux, where filenames are strictly cae-sensitive, the Web site engine would not find files that had .CIF extension (written in all caps). |
1000039.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) |
1000039.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.