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Information card for entry 2228080
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| Coordinates | 2228080.cif |
|---|---|
| Structure factors | 2228080.hkl |
| Original IUCr paper | HTML |
| Common name | Ba2P2O7 |
|---|---|
| Chemical name | dibarium diphosphate |
| Formula | Ba2 O7 P2 |
| Calculated formula | Ba2 O7 P2 |
| SMILES | [Ba+2].[Ba+2].P(=O)(OP(=O)([O-])[O-])([O-])[O-] |
| Title of publication | α-Ba~2~P~2~O~7~ |
| Authors of publication | Zakaria, Driss; Erragh, Fatima; Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | i76 - i77 |
| a | 9.2875 ± 0.0001 Å |
| b | 5.6139 ± 0.0001 Å |
| c | 13.8064 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 719.853 ± 0.016 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0441 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| 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 |
|---|---|---|---|
| 181201 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/80. |
2228080.cif 2228080.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228080.cif 2228080.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228080.cif 2228080.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. | 2228080.cif 2228080.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228080.cif 2228080.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228080.cif 2228080.hkl |
| 5117 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228080 via cif-deposit CGI script. |
2228080.cif |
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Users of the data should acknowledge the original authors of the
structural data.