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Information card for entry 2236697
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| Coordinates | 2236697.cif |
|---|---|
| Structure factors | 2236697.hkl |
| Original IUCr paper | HTML |
| External links | AMCSD |
| Common name | Clinobarylite |
|---|---|
| Chemical name | Barium diberyllium disilicate |
| Mineral name | Barylite |
| Formula | Ba Be2 O7 Si2 |
| Calculated formula | Ba Be2 O7 Si2 |
| SMILES | [Ba+2].[O-][Si](O[Si]([O-])([O-])[O-])([O-])[O-].[Be+2].[Be+2] |
| Title of publication | Redetermination of clinobarylite, BaBe~2~Si~2~O~7~ |
| Authors of publication | Domizio, Adrien J. Di; Downs, Robert T.; Yang, Hexiong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | i78 - i79 |
| a | 11.6491 ± 0.0005 Å |
| b | 4.9175 ± 0.0002 Å |
| c | 4.6746 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 267.78 ± 0.02 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0114 |
| Residual factor for significantly intense reflections | 0.011 |
| Weighted residual factors for significantly intense reflections | 0.0259 |
| Weighted residual factors for all reflections included in the refinement | 0.026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282068 (current) | 2023-03-26 | cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop. |
2236697.cif 2236697.hkl |
| 282053 | 2023-03-24 | cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs. |
2236697.cif 2236697.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. |
2236697.cif 2236697.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236697.cif 2236697.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236697.cif 2236697.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. | 2236697.cif 2236697.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. |
2236697.cif 2236697.hkl |
| 70297 | 2012-12-21 | cif/ Adding structures of 2236697 via cif-deposit CGI script. |
2236697.cif |
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Users of the data should acknowledge the original authors of the
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