Crystal structure of barium perchlorate anhydrate, Ba(ClO4)2, from laboratory X-ray powder data

Abstract

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(ClO4)2·xH2O] 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 BaO12 polyhedra and ClO4 tetrahedra. Each BaO12 polyhedron shares corners with eight ClO4 tetrahedra, and edges with two ClO4 tetrahedra. Each ClO4 tetrahedron shares corners with four BaO12 polyhedra, and an edge with the other BaO12 polyhedron.

Keywords

• crystal structure
• powder diffraction
• Ba(ClO4)2
• barium perchlorate anhydrate