Abstract
The crystal structure of Ba4In6O13 was determined by the single-crystal X-ray diffraction method using a single crystal grown by the floating zone method. Ba4In6O13 is isostructural with Sr4Fe6O13 and crystallizes in the noncentrosymmetric space group Iba2 with the unit cell parameters a= 11.460(6) b= 20.95(3) c= 5.944(2) Å. The structure is classified as one of the perovskite-derivatives consisted of Ba2In2O6- and Ba2In4O7-slabs arranged perpendicular to the b-axis. The In(3)-polyhedron in the perovskite-type Ba2In2O6-slab is a distorted octahedron, whereas In(1)- and In(2)-polyhedra in the Ba2In407-slab are described as strongly distorted square pyramids. Each polyhedron of In(1) and In(2) shares edges with each other. The sharing scheme of the In(1) polyhedra is similar to the cases for V atoms in CaV3O7 and CaV4O9, whereas that of the In(2) polyhedra is uncommon.
