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Information card for entry 2300387
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| Coordinates | 2300387.cif |
|---|---|
| Structure factors | 2300387.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Barium Fluoride Borate |
|---|---|
| Formula | B3 Ba5 F O9 |
| Calculated formula | B3 Ba5 F O9 |
| SMILES | [Ba+2].[F-].[O-]B([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[O-]B([O-])[O-].[O-]B([O-])[O-] |
| Title of publication | A new mechanism of anionic substitution in fluoride borates |
| Authors of publication | Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P. |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2013 |
| Journal volume | 46 |
| Journal issue | 4 |
| Pages of publication | 1081 - 1084 |
| a | 7.60788 ± 0.00012 Å |
| b | 14.8299 ± 0.0002 Å |
| c | 10.2865 ± 0.00016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1160.57 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0241 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181326 (current) | 2016-04-03 | hkl/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/30. |
2300387.cif 2300387.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2300387.cif 2300387.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2300387.cif 2300387.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2300387.cif 2300387.hkl |
| 88247 | 2013-09-04 | cif/ Adding structures of 2300387 via cif-deposit CGI script. |
2300387.cif |
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Users of the data should acknowledge the original authors of the
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