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Information card for entry 4322304
Preview
| Coordinates | 4322304.cif |
|---|---|
| Structure factors | 4322304.hkl |
| Original paper (by DOI) | HTML |
| Formula | Bi4 P6 Se18 |
|---|---|
| Calculated formula | Bi4 P6 Se18 |
| Title of publication | β-Bi4(P2Se6)3: A New Ternary Selenophosphate Obtained in a P2Se5 Flux |
| Authors of publication | Jennifer A. Aitken; Shannon Brown; Konstantinos Chondroudis; Stéphane Jobic; Raymond Brec; Mercouri G. Kanatzidis |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4795 - 4800 |
| a | 12.2303 ± 0.0008 Å |
| b | 6.764 ± 0.0004 Å |
| c | 17.866 ± 0.001 Å |
| α | 90.493 ± 0.006° |
| β | 94.133 ± 0.006° |
| γ | 91.163 ± 0.006° |
| Cell volume | 1473.76 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0427 |
| Goodness-of-fit parameter for all reflections | 0.71 |
| Goodness-of-fit parameter for significantly intense reflections | 0.71 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179326 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/23. |
4322304.cif 4322304.hkl |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322304.cif 4322304.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. | 4322304.cif 4322304.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322304.cif 4322304.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4322304.cif 4322304.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4322304.cif 4322304.hkl |
| 20895 | 2011-06-15 | hkl/4 and smi/1 Three hkl files downloaded from Inorg. Chem. and three smiles of tungsten clusters |
4322304.cif 4322304.hkl |
| 20575 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322304 via cif-deposit CGI script. |
4322304.cif |
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Users of the data should acknowledge the original authors of the
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