NdO2 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(2) atom.
NdO2 crystallizes in the monoclinic C2/m space group. Nd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. There are a spread of Nd(1)-O(1) bond distances ranging from 2.35-2.40 Å. There are a spread of Nd(1)-O(2) bond distances ranging from 2.50-2.69 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Nd(1) atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(2) atom. The O(2)-O(2) bond length is 1.50 Å.