Sample Originator: Andrew S. Willsa.
Data Collection: Simon Colesb and Michael B. Hursthouseb
Structure Determination: Simon Colesb.
University College Londona
University of Southamptonb
Fe3H6KO14S2
InChI=1/Fe.K.H2O2S.H2O/c;;1-3-2;/h;;1-2H;1H2/q+2;;;/p-2
| Controlled Keywords: | magnetic compounds, iron compounds |
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| Date Created: | 15 December 2004 |
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| Deposited On: | 16 Feb 2010 16:11 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | Fe3 H6 K O14 S2 |
| Crystal morphology | Block |
| Crystal system | Trigonal |
| Space group symbol | R-3m |
| Cell length a | 7.3003(10) |
| Cell length b | 7.3003(10) |
| Cell length c | 17.216(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 120.00 |
| Data collection temperature | 295(2) |
Refinement results
| Solution figure of merit | 0.0305 |
| R Factor (Obs) | 0.0230 |
| R Factor (All) | 0.0241 |
| Weighted R Factor (Obs) | 0.0603 |
| Weighted R Factor (All) | 0.0609 |
Citation: Wills, Andrew S. and Coles, Simon and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1172/)
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