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Information card for entry 2103468
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| Coordinates | 2103468.cif |
|---|---|
| Structure factors | 2103468.hkl |
| Original IUCr paper | HTML |
| Formula | Al2 Mn3 O12 Si3 |
|---|---|
| Calculated formula | Al2 Mn3 O12 Si3 |
| Title of publication | Atomic displacement parameters for spessartine Mn~3~Al~2~Si~3~O~12~ and their lattice-dynamical interpretation |
| Authors of publication | Gramaccioli, Carlo Maria; Pilati, Tullio; Demartin, Francesco |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 6 |
| Pages of publication | 965 - 969 |
| a | 11.63 ± 0.001 Å |
| b | 11.63 ± 0.001 Å |
| c | 11.63 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1573 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 4 |
| Space group number | 230 |
| Hermann-Mauguin space group symbol | I a -3 d |
| Hall space group symbol | -I 4bd 2c 3 |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.013 |
| Weighted residual factors for significantly intense reflections | 0.016 |
| Goodness-of-fit parameter for all reflections | 0.652 |
| Goodness-of-fit parameter for significantly intense reflections | 0.84 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180894 (current) | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/34. |
2103468.cif 2103468.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2103468.cif 2103468.hkl |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2103468.cif 2103468.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2103468.cif 2103468.hkl |
| 86226 | 2013-05-10 | Fixing structures with wrong site occupancy, < 0 or > 1 | 2103468.cif 2103468.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2103468.cif 2103468.hkl |
| 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. |
2103468.cif 2103468.hkl |
| 697 | 2009-05-05 | Adding 1667 more Fobs files, ones that have cell constans differenig not more than 0.1% from the cell constants in the coordinate file. The symmetry operators must also match in both files. |
2103468.cif 2103468.hkl |
| 380 | 2008-06-11 | Adding new deposition of the Acta-Cryst-B-2002/ CIF files. |
2103468.cif |
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Users of the data should acknowledge the original authors of the
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