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Information card for entry 2104965
Preview
| Coordinates | 2104965.cif |
|---|---|
| Structure factors | 2104965.hkl |
| Original IUCr paper | HTML |
| Common name | mayenite |
|---|---|
| Formula | Al14 Ca12 O33 |
| Calculated formula | Al14 Ca12 O33 |
| Title of publication | Determination of the local structure of a cage with an oxygen ion in Ca~12~Al~14~O~33~ |
| Authors of publication | Sakakura, Terutoshi; Tanaka, Kiyoaki; Takenaka, Yasuyuki; Matsuishi, Satoru; Hosono, Hideo; Kishimoto, Shunji |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | 193 - 204 |
| a | 11.989 ± 0.003 Å |
| b | 11.989 ± 0.003 Å |
| c | 11.989 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1723.3 ± 0.7 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 220 |
| Hermann-Mauguin space group symbol | I -4 3 d |
| Hall space group symbol | I -4bd 2c 3 |
| Residual factor for significantly intense reflections | 0.0161 |
| Weighted residual factors for all reflections included in the refinement | 0.024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.67954 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190526 (current) | 2017-01-15 | cif/2/ (antanas@echidna.ibt.lt) Adding proper _atom_site_type_symbol data item values instead of the placeholder ones ('?') in entries 2001349, 2001460, 2009431, 2009432, 2009434, 2104965. |
2104965.cif 2104965.hkl |
| 180908 | 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 2/10/49. |
2104965.cif 2104965.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2104965.cif 2104965.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104965.cif 2104965.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. | 2104965.cif 2104965.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104965.cif 2104965.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2104965.cif 2104965.hkl |
| 22422 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2104965 via cif-deposit CGI script. |
2104965.cif |
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Users of the data should acknowledge the original authors of the
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