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Information card for entry 4000576
Preview
| Coordinates | 4000576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Trituliumpentaborate |
|---|---|
| Chemical name | Trituliumpentaborate |
| Formula | B5 O12 Tm3 |
| Calculated formula | B5 O12 Tm3 |
| Title of publication | Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er–Lu) |
| Authors of publication | Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2005 |
| Journal volume | 17 |
| Journal issue | 10 |
| Pages of publication | 2707 - 2715 |
| a | 12.82 ± 0.003 Å |
| b | 4.6019 ± 0.0009 Å |
| c | 12.477 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 736.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 53 |
| Hermann-Mauguin space group symbol | P m n a |
| Hall space group symbol | -P 2ac 2 |
| Residual factor for all reflections | 0.0642 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277839 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4000576.cif |
| 277838 | 2022-09-14 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4000576.cif |
| 178259 | 2016-03-18 | cif/ (antanas@kurmis) Adding full bibliography and additional information from the original publication for entries 1100925, 1100926, 1100927, 1100928, 4000503, 4000576, 4000577, 4000578. Marking entries 1100925, 1100926, 1100927, 1100928 as duplicates of entries 4000503, 4000576, 4000577, 4000578. |
4000576.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4000576.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000576.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. |
4000576.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/' |
4000576.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000576.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. |
4000576.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) |
4000576.cif |
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Users of the data should acknowledge the original authors of the
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