Inorganic Chemistry, Vol.44, No.25, 9242-9246, 2005
Ca6Cu2Sn7: Novel 3D open framework with unusual Sn-4 tetramers
The new ternary polar intermetallic phase, Ca6Cu2Sn7, has been synthesized by the solid-state reaction of the stoichiometric mixture of the pure elements in welded Ta tubes at high temperature. Its structure was established by single-crystal X-ray diffraction studies. Ca6Cu2Sn7 crystallizes in the monoclinic space group C2/m (No. 12) with cell parameters of a = 14.257(7), b = 4.564(2), and c = 12.376(7) angstrom, beta = 93.979(6)degrees, V = 803.3(7) angstrom(3), and Z = 2. The structure of Ca6Cu2Sn7 belongs to a new structure type and features a 3D anionic open-framework composed of [Cu2Sn3] layers interconnected by unusual Sn-4 tetramers, forming large tunnels along the b axis which are composed Of Cu4Sn12 16-membered rings. The calcium atoms are located in these large tunnels. Ca6Cu2Sn7 is metallic and exhibits temperature-independent paramagnetism.