Crystal structure of anhydrous tripotassium citrate from laboratory X-ray powder diffraction data and DFT comparison

Abstract

The crystal structure of anhydrous tripotassium citrate, [K3(C6H5O7)] n , has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The three unique potassium cations are 6-, 8-, and 6-coordinate (all irregular). The [KO n ] coordination polyhedra share edges and corners to form a three… (More)
DOI: 10.1107/S2056989016011506

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@inproceedings{Rammohan2016CrystalSO, title={Crystal structure of anhydrous tripotassium citrate from laboratory X-ray powder diffraction data and DFT comparison}, author={Alagappa Rammohan and James A. Kaduk}, booktitle={Acta crystallographica. Section E, Crystallographic communications}, year={2016} }