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Information card for entry 4109804
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| Coordinates | 4109804.cif |
|---|---|
| Structure factors | 4109804.hkl |
| Original paper (by DOI) | HTML |
| Common name | Technetium dioxide |
|---|---|
| Chemical name | Technetium (IV) oxide |
| Formula | O7.9 Tc4 |
| Calculated formula | O7.9 Tc4.0044 |
| Title of publication | Structural Studies of TcO2 by Neutron Powder Diffraction and First-Principles Calculations |
| Authors of publication | Efrain E. Rodriguez; Frederic Poineau; Anna Llobet; Alfred P. Sattelberger; Joydeep Bhattacharjee; Umesh V. Waghmare; Thomas Hartmann; Anthony K. Cheetham |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Journal issue | 33 |
| Pages of publication | 10244 - 10248 |
| a | 5.68908 ± 0.00008 Å |
| b | 4.75461 ± 0.00008 Å |
| c | 5.51948 ± 0.00012 Å |
| α | 90° |
| β | 121.453 ± 0.0011° |
| γ | 90° |
| Cell volume | 127.361 ± 0.004 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| RFsqd | 0.07578 |
| Goodness-of-fit parameter for all reflections | 1.58 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181960 (current) | 2016-04-07 | hkl/4/10/ (antanas@echidna.ibt.lt) Adding missing datablock names and additional information from the original publication to entry 4109804. |
4109804.cif 4109804.hkl |
| 181959 | 2016-04-07 | cif/4/10/ (antanas@echidna.ibt.lt) Updating bibliography for entry 4109804. |
4109804.cif 4109804.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4109804.cif 4109804.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109804.cif 4109804.hkl |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109804.cif 4109804.hkl |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4109804.cif 4109804.hkl |
| 58582 | 2012-05-29 | cif/ hkl/ Adding structures of 4109804 via cif-deposit CGI script. |
4109804.cif |
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Users of the data should acknowledge the original authors of the
structural data.