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Information card for entry 2232239
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| Coordinates | 2232239.cif |
|---|---|
| Structure factors | 2232239.hkl |
| Original IUCr paper | HTML |
| Chemical name | tricalcium oxynitride silicate |
|---|---|
| Formula | Ca2.894 N1.76 O4.24 Si2 |
| Calculated formula | Ca2.894 N1.76 O4.24 Si2 |
| Title of publication | A cubic calcium oxynitrido-silicate, Ca~2.89~Si~2~N~1.76~O~4.24~ |
| Authors of publication | Sharafat, Ali; Berastegui, Pedro; Esmaeilzadeh, Saeid; Eriksson, Lars; Grins, Jekabs |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | i66 |
| a | 15.0626 ± 0.0001 Å |
| b | 15.0626 ± 0.0001 Å |
| c | 15.0626 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3417.43 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/22. |
2232239.cif 2232239.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2232239.cif 2232239.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232239.cif 2232239.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. | 2232239.cif 2232239.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232239.cif 2232239.hkl |
| 30888 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232239 via cif-deposit CGI script. |
2232239.cif |
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Users of the data should acknowledge the original authors of the
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