HgBaO2 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to six equivalent O(1) atoms to form edge-sharing BaO6 octahedra. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Ba(1) and one Hg(1) atom to form a mixture of distorted edge and corner-sharing OBa3Hg tetrahedra.
HgBaO2 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to six equivalent O(1) atoms to form edge-sharing BaO6 octahedra. All Ba(1)-O(1) bond lengths are 2.72 Å. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Hg(1)-O(1) bond lengths are 1.98 Å. O(1) is bonded to three equivalent Ba(1) and one Hg(1) atom to form a mixture of distorted edge and corner-sharing OBa3Hg tetrahedra.