Ba2Ca(PdO2)3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one Pd(1), and one Pd(2) atom. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), one Ca(1), and two equivalent Pd(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa3CaPd2 octahedra. The corner-sharing octahedral tilt angles range from 34-66°.
Ba2Ca(PdO2)3 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ba(1)-O(1) bond lengths are 2.79 Å. All Ba(1)-O(2) bond lengths are 2.83 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Ba(2)-O(2) bond lengths are 3.26 Å. All Ba(2)-O(1) bond lengths are 2.87 Å. Ca(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Ca(1)-O(2) bond lengths are 2.46 Å. All Ca(1)-O(1) bond lengths are 2.39 Å. There are two inequivalent Pd sites. In the first Pd site, 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 2.08 Å. Both Pd(1)-O(2) bond lengths are 2.07 Å. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Pd(2)-O(1) bond lengths are 2.06 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ca(1), one Pd(1), and one Pd(2) atom. In the second O site, O(2) is bonded to one Ba(2), two equivalent Ba(1), one Ca(1), and two equivalent Pd(1) atoms to form a mixture of distorted edge, face, and corner-sharing OBa3CaPd2 octahedra. The corner-sharing octahedral tilt angles range from 34-66°.