Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4318756
Preview
| Coordinates | 4318756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Potassium copper(II) [hexacyanoferrate(III)0.3/hexacyanocobaltate(III)0.7] |
|---|---|
| Formula | C6 Co0.7 Cu Fe0.3 K N6 |
| Calculated formula | C12 Co1.4 Cu2 Fe0.6 K2 N12 |
| Title of publication | Structure, Insertion Electrochemistry, and Magnetic Properties of a New Type of Substitutional Solid Solutions of Copper, Nickel, and Iron Hexacyanoferrates/Hexacyanocobaltates |
| Authors of publication | Antje Widmann; Heike Kahlert; Irena Petrovic-Prelevic; Harm Wulff; J. V. Yakhmi; Nitin Bagkar; Fritz Scholz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5706 - 5715 |
| a | 10.0754 ± 0.0004 Å |
| b | 10.0754 ± 0.0004 Å |
| c | 10.0754 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1022.79 ± 0.07 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 6 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor R(I) for significantly intense reflections | 0.13 |
| Goodness-of-fit parameter for all reflections | 1.1 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5405 Å |
| Diffraction radiation type | CuK/a |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277859 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4318756.cif |
| 277857 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
4318756.cif |
| 209418 | 2018-08-07 | cif/4/31/87/ Removing the trailing dot symbol (".") from the _symmetry_equiv_pos_site_id data item values in entries 4318755, 4318756. |
4318756.cif |
| 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. |
4318756.cif |
| 118884 | 2014-07-02 | cif/4/31/87/ Fixing mistyped fractional x coordinate for atom site 'N' (missing decimal dot symbol) according to the values from the original publication. Fixing mistyped symmetry operator '-y+1/2,x,z+1/2' (mistype resulted in a duplication of already-present symmetry operator 'y+1/2,x,z+1/2'). |
4318756.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318756.cif |
| 15480 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318756 via cif-deposit CGI script. |
4318756.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.