Abstract
The crystal structure of Ca 2B 5O 9Br has been solved from three-dimensional X-ray counter data (Mo Kα radiation) and refined by least-squares methods, with anisotropic thermal parameters for the heavy atoms, to a conventional agreement factor of R = 0.034. The crystals have pseudotetragonal, orthorhombic symmetry ( a = 11.397 Å, b = 11.255 Å and c = 6.293Å), space group Pnn2 with four formula units per cell. The structure contains chains of corner-sharing BO 4 tetrahedra which run in the z direction. They are linked in the x and y directions by boron atoms which occupy the center of triangles of oxygen atoms. The bromine and calcium ions are located in tunnels which exist in the three-dimensional lattice so formed. Relationships to a number of other structures, including the pyrochlore structure, are discussed.
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