Crystal structure of dilithium potassium citrate, LiKCHO determined from powder diffraction data and DFT calculations.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, North Central College, 131 S. Loomis St, Naperville IL, 60540 , USA.

Published: March 2019

The crystal structure of poly[μ-citrato-dilithium(I)potassium(I)], [LiK(CHO)] , has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The citrate anion triply chelates to the K cation through the hydroxyl group, the central carboxyl-ate, and the terminal carboxyl-ate. The KO coordination polyhedra share edges, forming chains parallel to the axis. These chains share edges with one tetra-hedral Li ion, and are bridged by edge-sharing pairs of the second tetra-hedral Li ion, forming layers parallel to the plane.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6399693PMC
http://dx.doi.org/10.1107/S2056989019002809DOI Listing

Publication Analysis

Top Keywords

crystal structure
8
powder diffraction
8
diffraction data
8
share edges
8
tetra-hedral ion
8
structure dilithium
4
dilithium potassium
4
potassium citrate
4
citrate likcho
4
likcho determined
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!