Synthesis and Magnetic Properties of the KCu(IO3)(3) Compound with [CuO5](infinity) Chains

• Published in: ACS omega 2019-09, Vol.4 (12), p.15168
• Main Authors: Mitoudi-Vagourdi, Eleni, Rienmüller, Julia, Lemmens, Peter, Gnezdilov, Vladimir, Kremer, Reinhard K., Johnsson, Mats
• Format: Article
• Language: English
• Subjects: Inorganic Chemistry; oorganisk kemi
• ISSN: 2470-1343; 2470-1343
• DOI: 10.1021/acsomega.9b02064

The new quaternary iodate KCu(IO3)(3) has been prepared by hydrothermal synthesis. KCu(IO3)(3) crystallizes in the monoclinic space group P2(1)/n with unit cell parameters a = 9.8143(4) angstrom, b = 8.2265(4) angstrom, c = 10.8584(5) angstrom,beta = 91.077(2)degrees, and z = 4. The crystals are light blue and translucent. There are three main building units making up the crystal structure: [KO10] irregular polyhedra, [CuO6] distorted octahedra, and [IO3] trigonal pyramids. The Jahn-Teller elongated [CuO6] octahedra connect to each other via corner sharing to form [CuO5](infinity) zigzag chains along [010]; the other building blocks separate these chains. The Raman modes can be divided into four groups; the lower two groups into mainly lattice modes involving K and Cu displacements and the upper two groups into mainly bending and stretching modes of [IO3E], where E represents a lone pair of electron. At low temperatures, the magnetic susceptibility is characterized by a broad maximum centered at similar to 5.4 K, characteristic for antiferromagnetic short-range ordering. Long-range magnetic ordering at T-C = 1.32 K is clearly evidenced by a sharp anomaly in the heat capacity. The magnetic susceptibility can be very well described by a spin S = 1/2 antiferromagnetic Heisenberg chain with a nearest-neighbor spin exchange of similar to 8.9 K.