Crystal structure and magnetic properties of LiCuCl3-2H2O
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Ames National Laboratory is a government-owned, contractor-operated national laboratory of the U.S. Department of Energy (DOE), operated by and located on the campus of Iowa State University in Ames, Iowa.
For more than 70 years, the Ames National Laboratory has successfully partnered with Iowa State University, and is unique among the 17 DOE laboratories in that it is physically located on the campus of a major research university. Many of the scientists and administrators at the Laboratory also hold faculty positions at the University and the Laboratory has access to both undergraduate and graduate student talent.
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Abstract
Interest in the study of the effect of cation size upon the configuration assumed by a complex anion led to the determination of the crystal structure of LiCuCl3 • 2H2O. A unique (Cu2Cl6)= dimer ion was discovered in the structure that was determined by conventional X-ray diffraction techniques. These dimer ions are linked together into a zigzag chain by means of long Cu-Cl bonds between the dimers. The chains in any given unit cell of the crystal are related to each other by a two-fold screw axis. Each dimer has two water molecules associated with it through long Cu-O interactions, giving a distorted octahedral array about each copper ion. There are two additional water molecules per dimer ion which are "lattice waters" and which, along with one of the other oxygens and a chlorine ion, form a tetrahedral hole in which the lithium ion is probably located.