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Information card for entry 2233440
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| Coordinates | 2233440.cif |
|---|---|
| Structure factors | 2233440.hkl |
| Original IUCr paper | HTML |
| Chemical name | (sodium magnesium) [magnesium iron(III) silicon] disilicate |
|---|---|
| Formula | Fe0.17 Mg0.46 Na0.97 O6 Si2.4 |
| Calculated formula | Fe0.17 Mg0.46 Na0.97 O6 Si2.4 |
| Title of publication | High-pressure synthetic (Na~0.97~Mg~0.03~)(Mg~0.43~Fe~0.17~^3+^Si~0.40~)Si~2~O~6~, with six-coordinated silicon, isostructural with <i>P</i>2/<i>n</i> omphacite |
| Authors of publication | Posner, Esther S.; Konzett, Jürgen; Frost, Daniel J.; Downs, Robert T.; Yang, Hexiong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | i18 |
| a | 9.4432 ± 0.0008 Å |
| b | 8.6457 ± 0.0007 Å |
| c | 5.254 ± 0.0005 Å |
| α | 90° |
| β | 108.003 ± 0.006° |
| γ | 90° |
| Cell volume | 407.95 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181256 (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 2/23/34. |
2233440.cif 2233440.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. |
2233440.cif 2233440.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233440.cif 2233440.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. | 2233440.cif 2233440.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233440.cif 2233440.hkl |
| 38233 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233440 via cif-deposit CGI script. |
2233440.cif |
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Users of the data should acknowledge the original authors of the
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