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Information card for entry 2236696
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| Coordinates | 2236696.cif |
|---|---|
| Structure factors | 2236696.hkl |
| Original IUCr paper | HTML |
| External links | AMCSD; Wikidata |
| Common name | Junitoite |
|---|---|
| Chemical name | calcium dizinc disilicate monohydrate |
| Mineral name | Junitoite |
| Formula | Ca H2 O8 Si2 Zn2 |
| Calculated formula | Ca H2 O8 Si2 Zn2 |
| SMILES | [Zn+2].[Zn+2].[Ca+2].[Si]([O-])([O-])([O-])O[Si]([O-])([O-])[O-] |
| Title of publication | Redetermination of junitoite, CaZn~2~Si~2~O~7~·H~2~O |
| Authors of publication | Yang, Hexiong; Jenkins, Neil G.; Downs, Robert T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | i73 - i73 |
| a | 12.53 ± 0.004 Å |
| b | 6.3056 ± 0.0018 Å |
| c | 8.562 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 676.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A b a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0189 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0426 |
| Weighted residual factors for all reflections included in the refinement | 0.0436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287670 (current) | 2023-11-17 | cif/ (saulius@tasmanijos-velnias) Manually merging 26 COD entries with the AMCSD upstream. |
2236696.cif 2236696.hkl |
| 181288 | 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 2/23/66. |
2236696.cif 2236696.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2236696.cif 2236696.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236696.cif 2236696.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. | 2236696.cif 2236696.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236696.cif 2236696.hkl |
| 70296 | 2012-12-21 | cif/ Adding structures of 2236696 via cif-deposit CGI script. |
2236696.cif |
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Users of the data should acknowledge the original authors of the
structural data.