Ba2PdO3 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded to two equivalent O(2) and five equivalent O(1) atoms to form a mixture of distorted edge, face, and corner-sharing BaO7 pentagonal bipyramids. Pd(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Pd(1) atoms to form OBa4Pd2 octahedra that share corners with two equivalent O(2)Ba4Pd2 octahedra, corners with twelve equivalent O(1)Ba5Pd octahedra, edges with two equivalent O(2)Ba4Pd2 octahedra, and faces with four equivalent O(1)Ba5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second O site, O(1) is bonded to five equivalent Ba(1) and one Pd(1) atom to form OBa5Pd octahedra that share corners with five equivalent O(1)Ba5Pd octahedra, corners with six equivalent O(2)Ba4Pd2 octahedra, edges with eight equivalent O(1)Ba5Pd octahedra, and faces with two equivalent O(2)Ba4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°.
Ba2PdO3 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded to two equivalent O(2) and five equivalent O(1) atoms to form a mixture of distorted edge, face, and corner-sharing BaO7 pentagonal bipyramids. Both Ba(1)-O(2) bond lengths are 2.75 Å. There is one shorter (2.68 Å) and four longer (2.83 Å) Ba(1)-O(1) bond lengths. Pd(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Pd(1)-O(1) bond lengths are 2.06 Å. Both Pd(1)-O(2) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Ba(1) and two equivalent Pd(1) atoms to form OBa4Pd2 octahedra that share corners with two equivalent O(2)Ba4Pd2 octahedra, corners with twelve equivalent O(1)Ba5Pd octahedra, edges with two equivalent O(2)Ba4Pd2 octahedra, and faces with four equivalent O(1)Ba5Pd octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the second O site, O(1) is bonded to five equivalent Ba(1) and one Pd(1) atom to form OBa5Pd octahedra that share corners with five equivalent O(1)Ba5Pd octahedra, corners with six equivalent O(2)Ba4Pd2 octahedra, edges with eight equivalent O(1)Ba5Pd octahedra, and faces with two equivalent O(2)Ba4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-59°.