Structure of the intercalate NaWO2Cl2

Abstract NaWO 2 Cl 2 , F w = 309.74, is formed by the intercalation of sodium into WO 2 Cl 2 . The structure of the intercalate has been determined using a combination of constant wavelength and time-of flight powder neutron diffraction data. NaWO 2 Cl 2 adopts orthorhombic symmetry, space group Ammm (No. 65), with a = 3.7943(3), b = 3.8006(4), and c = 15.739(1) A; Z = 2; V = 226.96 A 3 ; and D cal = 4.53 g cm −3 . The structure consists of blocks, each containing a layer of both W and O atoms sandwiched between two layers of Cl atoms. The trilayer blocks [ClWO 2 Cl] are stacked in the direction perpendicular to the layers, i.e., parallel to the c -axis, and are separated by Na + ions located in two sets of sites between adjacent chlorine layers. The basic structure is related to that of the parent material WO 2 Cl 2 by a displacement of the [ClWO 2 Cl] blocks in the basal plane.