Crystal Structure and Magnetic Properties of a new two-dimensional S=1 quantum spin system.pdf

1 Crystal Structure and Magnetic Properties of a new two-dimensional S=1 quantum spin system Ni5(TeO3)4X2 (X= Cl, Br) Mats Johnsson*, Karl W. T?rnroos**, Peter Lemmens# and Patrice Millet,+ *Department of Inorganic Chemistry, Stockholm University, S-106 91 Stockholm, Sweden **Department of Chemistry, University of Bergen, Allégt. 41, 5007 Bergen, Norway. # Max Planck Institute for Solid State Research, Heisenbergstra?e 1, D-70569 Stuttgart, Germany Centre d’Elaboration de Matériaux et d’Etudes Structurales (CEMES/CNRS), 29 rue Jeanne Marvig, BP 4347, Toulouse cedex 4, France. Abstract Two new transition-metal tellurium oxy-chlorides of the general formula Ni5(TeO3)4X2 (X=Cl, Br) have been isolated during the investigation of the ternary phase diagram NiO- NiCl2-TeO2. They crystallize in the monoclinic system, space group C2/c, and for the case of Ni5(TeO3)4Cl2 the unit cell is a=19.5674(2) ?, b=5.2457(1) ?, c=16.3084(1) ?, with β=125.289(1)°. The structure is layered and built up of corner connected [Ni5O17X2] entities, made of five nickel(II) octahedra associated by edge and face sharing. The tellurium(IV) atoms are fixed upon the nickel layers. Their lone pairs E and the halogen atoms are packed in a double layer perpendicular to the [010] direction. From the magnetic point of view, this system provides a new 2D S=1 quantum spin system with antiferromagnetic superexchange interaction. The magnetic susceptibility shows anomalies pointing to magnetic ordering phenomena. The observed transition temperatures vary with the interlayer separation. + Corresponding author : P. Millet, CEMES-CNRS, Toulouse, France Tel: 33 5 62 25 78 28; Fax: 33 5 62 25 79 99; e-mail: millet@cemes.fr 2 Introduction Quantum spin systems are compounds in which long range magnetically ordered phases (ferro- or antiferromagnetic) are suppressed by the effect of quantum fluctuations. These fluctuations arise due to a reduced dimensionality of the system