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Information card for entry 2104735
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Coordinates | 2104735.cif |
---|---|
Original IUCr paper | HTML |
Common name | Pyrrhotite 5C |
---|---|
Chemical name | nona iron deca sulphide |
Mineral name | Pyrrhotite 5C |
Formula | Fe9 S10 |
Calculated formula | Fe9 S10 |
SMILES | [Fe+3].[Fe+3].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2] |
Title of publication | Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) |
Authors of publication | Elliot, Alexander Dean |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 3 |
Pages of publication | 271 - 279 |
a | 6.89268 ± 0.00016 Å |
b | 28.67214 ± 0.00034 Å |
c | 6.8852 ± 0.00008 Å |
α | 90° |
β | 119.956 ± 0.0021° |
γ | 90° |
Cell volume | 1178.93 ± 0.04 Å3 |
Cell temperature | 299 K |
Ambient diffraction temperature | 299 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 |
Residual factor R(I) for significantly intense reflections | 0.01982 |
Goodness-of-fit parameter for all reflections | 2.891 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.825218 Å |
Diffraction radiation type | Synchrotron |
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/2104735.html
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