The crystal structure of CuSb2O3Br:: Slabs from cubic Sb2O3 interspersed between puckered hexagonal CuBr-type layers

The new compound CuSb2O3Br crystallize in the monoclinic space group Cc. The unit cell parameters are a = 7.9189(15) angstrom, b = 13.7105(10) angstrom, c = 19.048(2) angstrom, beta = 90 degrees, Z = 16. The crystal structure is solved from single crystal data, R = 0.0490. The compound show a layered structure with slabs from cubic Sb2O3 interspersed in between puckered layers of CuBr. The Sb(III) atoms have tetrahedral [SbO3E] coordination where E is the 5s(2) lone pair, these units build up Sb4O4E6 cages. The CuBr layers resemble those in hexagonal CuBr but the Cu(I) ions have actually tetrahedral [CuBr3O] coordination. The Cu-0 bonds link the Sb4O6 cages with the CuBr layers. (c) 2005 Elsevier Inc. All rights reserved.