Crystal structure of barium perchlorate anhydrate, Ba(ClO(4))(2), from laboratory X-ray powder data

The previously unknown crystal structure of barium perchlorate anhydrate, determined and refined from laboratory X-ray powder diffraction data, represents a new structure type. The title compound was obtained by heating hydrated barium perchlorate [Ba(ClO(4))(2)·xH(2)O] at 423 K in vacuo for 6 h. It crystallizes in the ortho­rhom­bic space group Fddd. The asymmetric unit contains one Ba (site symmetry 222 on special position 8a), one Cl (site symmetry 2 on special position 16f) and two O sites (on general positions 32h). The structure can be described as a three-dimensional polyhedral network resulting from the corner- and edge-sharing of BaO(12) polyhedra and ClO(4) tetra­hedra. Each BaO(12) polyhedron shares corners with eight ClO(4) tetra­hedra, and edges with two ClO(4) tetra­hedra. Each ClO(4) tetra­hedron shares corners with four BaO(12) polyhedra, and an edge with the other BaO(12) polyhedron.