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Information card for entry 4310101
Preview
| Coordinates | 4310101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tin copper arsenide iodide |
|---|---|
| Formula | As22 Cu4.7 I8 Sn19.3 |
| Calculated formula | As22 Cu4.8 I8 Sn19.272 |
| Title of publication | Sn19.3Cu4.7As22I8: a New Clathrate-I Compound with Transition-Metal Atoms in the Cationic Framework |
| Authors of publication | Kirill A. Kovnir; Alexei V. Sobolev; Igor A. Presniakov; Oleg I. Lebedev; Gustaaf Van Tendeloo; Walter Schnelle; Yuri Grin; Andrei V. Shevelkov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8786 - 8793 |
| a | 11.172 ± 0.001 Å |
| b | 11.172 ± 0.001 Å |
| c | 11.172 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1394.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0332 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.296 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4310101.cif |
| 179140 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01. |
4310101.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310101.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310101.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310101.cif |
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Users of the data should acknowledge the original authors of the
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