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

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

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 [KOn] coordinati...

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Bibliographic Details
Main Authors: Alagappa Rammohan, James A. Kaduk
Format: Article
Language:English
Published: International Union of Crystallography 2016-08-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
powder diffraction
density functional theory
citrate
potassium salt
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989016011506

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http://scripts.iucr.org/cgi-bin/paper?S2056989016011506

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