Lithium dipotassium citrate monohydrate, LiKCHO(HO).

The crystal structure of dilithium potassium citrate monohydrate, Li·2K·CHO ·HO or LiKCHO·HO, has been solved by direct methods and refined against laboratory X-ray powder diffraction data, and optimized using density functional techniques. The complete citrate trianion is generated by a crystallographic mirror plane, with two C and three O atoms lying on the reflecting plane, and chelates to three different K cations. The KO and LiO coordination polyhedra share edges and corners to form layers lying parallel to the plane. An intra-molecular O-H⋯O hydrogen bond occurs between the hydroxyl group and the central carboxyl-ate group of the citrate anion as well as a charge-assisted inter-molecular O-H⋯O link between the water mol-ecule and the terminal carboxyl-ate group. There is also a weak C-H⋯O hydrogen bond.