PdB2O4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing BO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Pd(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Pd(2), one B(1), and one B(2) atom.
PdB2O4 crystallizes in the tetragonal I-42d space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to four equivalent O(1) atoms. All Pd(1)-O(1) bond lengths are 2.09 Å. In the second Pd site, Pd(2) is bonded in a square co-planar geometry to one O(2), one O(3), and two equivalent O(4) atoms. The Pd(2)-O(2) bond length is 2.02 Å. The Pd(2)-O(3) bond length is 2.01 Å. Both Pd(2)-O(4) bond lengths are 2.07 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. The B(1)-O(1) bond length is 1.49 Å. The B(1)-O(2) bond length is 1.47 Å. The B(1)-O(3) bond length is 1.46 Å. The B(1)-O(4) bond length is 1.49 Å. In the second B site, B(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form corner-sharing BO4 tetrahedra. Both B(2)-O(1) bond lengths are 1.49 Å. Both B(2)-O(4) bond lengths are 1.49 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Pd(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Pd(2) and two equivalent B(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Pd(2), one B(1), and one B(2) atom.