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Information card for entry 4310989
Preview
| Coordinates | 4310989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tin phosphide bromide |
|---|---|
| Formula | Br8 P19.6 Sn24 |
| Calculated formula | Br8 P19.576 Sn24 |
| Title of publication | Unusually High Chemical Compressibility of Normally Rigid Type-I Clathrate Framework: Synthesis and Structural Study of Sn24P19.3BrxI8-x Solid Solution, the Prospective Thermoelectric Material |
| Authors of publication | Kirill A. Kovnir; Julia V. Zaikina; Lyudmila N. Reshetova; Andrei V. Olenev; Evgeny V. Dikarev; Andrei V. Shevelkov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3230 - 3236 |
| a | 10.79 ± 0.0002 Å |
| b | 10.79 ± 0.0002 Å |
| c | 10.79 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1256.22 ± 0.04 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 223 |
| Hermann-Mauguin space group symbol | P m -3 n |
| Hall space group symbol | -P 4n 2 3 |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.559 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4310989.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4310989.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4310989.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310989.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310989.cif |
| 11788 | 2011-02-22 | cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
4310989.cif |
| 2481 | 2010-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4310989 via cif-deposit CGI script. |
4310989.cif |
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