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Information card for entry 4000973
Preview
Coordinates | 4000973.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | Fe3 N1.08 |
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Calculated formula | Fe3 N1.082 |
SMILES | [N].[Fe].[Fe].[Fe] |
Title of publication | High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x |
Authors of publication | Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich |
Journal of publication | Chemistry of Materials |
Year of publication | 2009 |
Journal volume | 21 |
Journal issue | 2 |
Pages of publication | 392 |
a | 4.7241 ± 0.0002 Å |
b | 4.7241 ± 0.0002 Å |
c | 4.3862 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 84.773 ± 0.006 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 2 |
Space group number | 149 |
Hermann-Mauguin space group symbol | P 3 1 2 |
Hall space group symbol | P 3 2 |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0189 |
Weighted residual factors for significantly intense reflections | 0.0453 |
Weighted residual factors for all reflections included in the refinement | 0.0556 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation wavelength | 0.56083 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4000973.html
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Users of the data should acknowledge the original authors of the
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