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Information card for entry 4000302
Preview
| Coordinates | 4000302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Formula | H4 O6 P Sc |
|---|---|
| Calculated formula | O6 P Sc |
| Title of publication | Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks Locality: synthetic |
| Authors of publication | Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2003 |
| Journal volume | 15 |
| Pages of publication | 3818 - 3825 |
| a | 5.4429 ± 0.0008 Å |
| b | 10.2513 ± 0.0015 Å |
| c | 8.9094 ± 0.0011 Å |
| α | 90° |
| β | 90.253 ± 0.007° |
| γ | 90° |
| Cell volume | 497.11 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.167 |
| Weighted residual factors for all reflections included in the refinement | 0.1697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.6845 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282537 (current) | 2023-04-10 | cif/4/00/03/ Marked entries 4000301-4000302 as being related to AMCSD entries 0012219-0012220. Removed the '_amcsd_database_code' data item since it had outdated values that are no longer relevant. |
4000302.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000302.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4000302.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000302.cif |
| 1212 | 2010-06-10 | cif/ Inserting AMCSD numbers for the automatically recognised series 1, 2, 4, 5 and 8 CIFs. |
4000302.cif |
| 1084 | 2010-04-11 | cif/{4,8}/ Merging bibliography and pressure data into 3 series 4 and 3 series 8 CIFs from AMCSD-resynchronisation-2009.06.24/. |
4000302.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. |
4000302.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. |
4000302.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/' |
4000302.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000302.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. |
4000302.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) |
4000302.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.